USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ 150:sc= -0.752! (180deg=-0.204) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.942! C(o=-1.7!,f=-19!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 62 THR OG1 : rot -69:sc= 1.24 USER MOD Set 3.1: A 14 THR OG1 : rot 97:sc= 0.991 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER N :NH3+ -143:sc= 0.0368 (180deg=-0.32) USER MOD Single : A 0 SER OG : rot 49:sc= 0.402 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.901 K(o=-0.9,f=-0.13) USER MOD Single : A 16 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-3.5!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0.0267 (180deg=0.0244) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -1:sc= 0.094 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -63:sc= 1.03 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.303 K(o=-0.3,f=0.28) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.03 K(o=-2,f=-7!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 55 ASN : amide:sc= -0.0426 X(o=-0.043,f=-0.036) USER MOD Single : A 64 SER OG : rot 180:sc= 0.019 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 130:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.9! C(o=-8.9!,f=-12!) USER MOD Single : A 86 SER OG : rot 40:sc= -1.54! USER MOD Single : A 89 SER OG : rot 77:sc= 0.417 USER MOD Single : A 92 SER OG : rot -146:sc= -3.16! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 68:sc= -0.0909 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.389 -3.448 -4.535 1.00 2.05 N ATOM 2 CA SER A 0 -24.268 -2.890 -3.734 1.00 1.55 C ATOM 3 C SER A 0 -22.918 -3.284 -4.327 1.00 1.39 C ATOM 4 O SER A 0 -22.274 -4.221 -3.855 1.00 1.50 O ATOM 5 CB SER A 0 -24.386 -3.414 -2.301 1.00 2.08 C ATOM 6 OG SER A 0 -24.470 -4.829 -2.280 1.00 2.74 O ATOM 0 H1 SER A 0 -26.169 -2.761 -4.566 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.061 -3.643 -5.502 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.722 -4.331 -4.098 1.00 2.05 H new ATOM 0 HA SER A 0 -24.327 -1.802 -3.744 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.523 -3.089 -1.720 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.269 -2.987 -1.826 1.00 2.08 H new ATOM 0 HG SER A 0 -23.764 -5.207 -2.845 1.00 2.74 H new ATOM 12 N PRO A 1 -22.473 -2.574 -5.375 1.00 1.23 N ATOM 13 CA PRO A 1 -21.199 -2.852 -6.032 1.00 1.19 C ATOM 14 C PRO A 1 -20.027 -2.174 -5.333 1.00 1.24 C ATOM 15 O PRO A 1 -19.893 -0.950 -5.371 1.00 2.06 O ATOM 16 CB PRO A 1 -21.409 -2.260 -7.421 1.00 1.18 C ATOM 17 CG PRO A 1 -22.303 -1.089 -7.191 1.00 1.26 C ATOM 18 CD PRO A 1 -23.176 -1.441 -6.008 1.00 1.24 C ATOM 0 HA PRO A 1 -20.949 -3.913 -6.029 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.464 -1.957 -7.871 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.866 -2.983 -8.097 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.721 -0.190 -6.989 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.909 -0.885 -8.073 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.278 -0.600 -5.322 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.182 -1.720 -6.322 1.00 1.24 H new ATOM 26 N ILE A 2 -19.180 -2.973 -4.696 1.00 0.68 N ATOM 27 CA ILE A 2 -18.020 -2.446 -3.990 1.00 0.61 C ATOM 28 C ILE A 2 -16.869 -2.172 -4.954 1.00 0.57 C ATOM 29 O ILE A 2 -16.708 -2.869 -5.956 1.00 0.63 O ATOM 30 CB ILE A 2 -17.539 -3.419 -2.895 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.429 -2.773 -2.055 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.059 -4.722 -3.525 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.637 -3.747 -1.204 1.00 0.56 C ATOM 0 H ILE A 2 -19.275 -3.988 -4.654 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.330 -1.511 -3.523 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.374 -3.646 -2.232 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.743 -2.252 -2.722 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.874 -2.020 -1.404 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.722 -5.402 -2.743 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.878 -5.182 -4.077 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.234 -4.514 -4.206 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.875 -3.205 -0.644 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.308 -4.251 -0.508 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.158 -4.486 -1.847 1.00 0.56 H new ATOM 45 N ASP A 3 -16.076 -1.152 -4.644 1.00 0.55 N ATOM 46 CA ASP A 3 -14.938 -0.782 -5.480 1.00 0.54 C ATOM 47 C ASP A 3 -13.711 -0.470 -4.623 1.00 0.47 C ATOM 48 O ASP A 3 -13.806 0.254 -3.632 1.00 0.49 O ATOM 49 CB ASP A 3 -15.292 0.431 -6.343 1.00 0.61 C ATOM 50 CG ASP A 3 -16.345 0.113 -7.384 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.976 -0.366 -8.477 1.00 1.64 O ATOM 52 OD2 ASP A 3 -17.541 0.344 -7.108 1.00 2.00 O ATOM 0 H ASP A 3 -16.200 -0.565 -3.819 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.701 -1.627 -6.127 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.650 1.237 -5.702 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.393 0.795 -6.840 1.00 0.61 H new ATOM 57 N PRO A 4 -12.536 -1.014 -4.992 1.00 0.44 N ATOM 58 CA PRO A 4 -11.294 -0.788 -4.252 1.00 0.41 C ATOM 59 C PRO A 4 -10.631 0.539 -4.617 1.00 0.38 C ATOM 60 O PRO A 4 -11.092 1.247 -5.512 1.00 0.43 O ATOM 61 CB PRO A 4 -10.427 -1.965 -4.684 1.00 0.45 C ATOM 62 CG PRO A 4 -10.860 -2.248 -6.083 1.00 0.50 C ATOM 63 CD PRO A 4 -12.325 -1.892 -6.159 1.00 0.50 C ATOM 0 HA PRO A 4 -11.455 -0.727 -3.176 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.367 -1.716 -4.638 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.579 -2.830 -4.038 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.281 -1.660 -6.795 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.702 -3.297 -6.333 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.565 -1.382 -7.092 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.955 -2.780 -6.110 1.00 0.50 H new ATOM 71 N PRO A 5 -9.538 0.898 -3.922 1.00 0.37 N ATOM 72 CA PRO A 5 -8.812 2.151 -4.168 1.00 0.39 C ATOM 73 C PRO A 5 -8.185 2.219 -5.558 1.00 0.38 C ATOM 74 O PRO A 5 -8.537 1.449 -6.453 1.00 0.47 O ATOM 75 CB PRO A 5 -7.716 2.158 -3.093 1.00 0.46 C ATOM 76 CG PRO A 5 -8.157 1.161 -2.076 1.00 0.71 C ATOM 77 CD PRO A 5 -8.925 0.118 -2.835 1.00 0.43 C ATOM 0 HA PRO A 5 -9.484 3.008 -4.122 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.749 1.887 -3.516 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.605 3.148 -2.651 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.302 0.721 -1.563 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -8.780 1.629 -1.314 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.273 -0.667 -3.217 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.676 -0.367 -2.211 1.00 0.43 H new ATOM 85 N GLY A 6 -7.257 3.159 -5.727 1.00 0.37 N ATOM 86 CA GLY A 6 -6.585 3.339 -7.005 1.00 0.39 C ATOM 87 C GLY A 6 -5.184 2.751 -7.023 1.00 0.42 C ATOM 88 O GLY A 6 -4.893 1.796 -6.305 1.00 0.66 O ATOM 0 H GLY A 6 -6.957 3.804 -4.996 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.179 2.874 -7.791 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.530 4.403 -7.235 1.00 0.39 H new ATOM 92 N LYS A 7 -4.315 3.329 -7.851 1.00 0.41 N ATOM 93 CA LYS A 7 -2.935 2.863 -7.964 1.00 0.44 C ATOM 94 C LYS A 7 -2.040 3.561 -6.937 1.00 0.37 C ATOM 95 O LYS A 7 -1.999 4.790 -6.887 1.00 0.42 O ATOM 96 CB LYS A 7 -2.405 3.122 -9.376 1.00 0.54 C ATOM 97 CG LYS A 7 -1.101 2.401 -9.676 1.00 0.64 C ATOM 98 CD LYS A 7 -0.379 3.023 -10.857 1.00 1.01 C ATOM 99 CE LYS A 7 0.998 3.531 -10.464 1.00 0.95 C ATOM 100 NZ LYS A 7 1.282 4.873 -11.040 1.00 1.52 N ATOM 0 H LYS A 7 -4.543 4.120 -8.453 1.00 0.41 H new ATOM 0 HA LYS A 7 -2.920 1.791 -7.766 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.158 2.811 -10.101 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.257 4.194 -9.509 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.457 2.432 -8.797 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.305 1.351 -9.885 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.282 2.286 -11.654 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.972 3.847 -11.254 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.070 3.580 -9.377 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.755 2.824 -10.802 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.231 5.183 -10.748 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.239 4.821 -12.078 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.575 5.554 -10.698 1.00 1.52 H new ATOM 114 N PRO A 8 -1.309 2.799 -6.096 1.00 0.34 N ATOM 115 CA PRO A 8 -0.425 3.369 -5.074 1.00 0.32 C ATOM 116 C PRO A 8 0.913 3.821 -5.652 1.00 0.33 C ATOM 117 O PRO A 8 1.470 3.173 -6.538 1.00 0.44 O ATOM 118 CB PRO A 8 -0.233 2.211 -4.078 1.00 0.39 C ATOM 119 CG PRO A 8 -1.120 1.104 -4.569 1.00 0.44 C ATOM 120 CD PRO A 8 -1.266 1.333 -6.042 1.00 0.41 C ATOM 0 HA PRO A 8 -0.848 4.265 -4.619 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.809 1.892 -4.044 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.507 2.514 -3.067 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.679 0.128 -4.365 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.089 1.127 -4.070 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.429 0.924 -6.608 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.173 0.879 -6.442 1.00 0.41 H new ATOM 128 N VAL A 9 1.418 4.947 -5.149 1.00 0.34 N ATOM 129 CA VAL A 9 2.685 5.497 -5.623 1.00 0.38 C ATOM 130 C VAL A 9 3.453 6.190 -4.493 1.00 0.34 C ATOM 131 O VAL A 9 2.988 7.188 -3.942 1.00 0.35 O ATOM 132 CB VAL A 9 2.451 6.518 -6.755 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.727 6.736 -7.554 1.00 0.53 C ATOM 134 CG2 VAL A 9 1.316 6.067 -7.663 1.00 1.09 C ATOM 0 H VAL A 9 0.969 5.494 -4.415 1.00 0.34 H new ATOM 0 HA VAL A 9 3.274 4.659 -5.996 1.00 0.38 H new ATOM 0 HB VAL A 9 2.166 7.468 -6.303 1.00 0.43 H new ATOM 0 HG11 VAL A 9 3.540 7.460 -8.348 1.00 0.53 H new ATOM 0 HG12 VAL A 9 4.509 7.114 -6.895 1.00 0.53 H new ATOM 0 HG13 VAL A 9 4.047 5.791 -7.993 1.00 0.53 H new ATOM 0 HG21 VAL A 9 1.169 6.802 -8.454 1.00 1.09 H new ATOM 0 HG22 VAL A 9 1.566 5.103 -8.106 1.00 1.09 H new ATOM 0 HG23 VAL A 9 0.400 5.972 -7.080 1.00 1.09 H new ATOM 144 N PRO A 10 4.643 5.672 -4.128 1.00 0.34 N ATOM 145 CA PRO A 10 5.461 6.251 -3.059 1.00 0.32 C ATOM 146 C PRO A 10 5.910 7.681 -3.356 1.00 0.37 C ATOM 147 O PRO A 10 6.827 7.895 -4.150 1.00 0.64 O ATOM 148 CB PRO A 10 6.684 5.340 -2.982 1.00 0.38 C ATOM 149 CG PRO A 10 6.309 4.095 -3.709 1.00 0.39 C ATOM 150 CD PRO A 10 5.275 4.487 -4.721 1.00 0.42 C ATOM 0 HA PRO A 10 4.891 6.310 -2.132 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.553 5.813 -3.439 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.946 5.124 -1.946 1.00 0.38 H new ATOM 0 HG2 PRO A 10 7.179 3.653 -4.195 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.914 3.348 -3.021 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.726 4.714 -5.687 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.553 3.688 -4.886 1.00 0.42 H new ATOM 158 N LEU A 11 5.278 8.657 -2.710 1.00 0.34 N ATOM 159 CA LEU A 11 5.643 10.058 -2.910 1.00 0.43 C ATOM 160 C LEU A 11 7.059 10.294 -2.404 1.00 0.43 C ATOM 161 O LEU A 11 7.822 11.078 -2.970 1.00 0.57 O ATOM 162 CB LEU A 11 4.667 10.977 -2.173 1.00 0.56 C ATOM 163 CG LEU A 11 3.203 10.535 -2.221 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.671 10.300 -0.816 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.358 11.569 -2.949 1.00 1.64 C ATOM 0 H LEU A 11 4.516 8.507 -2.048 1.00 0.34 H new ATOM 0 HA LEU A 11 5.595 10.285 -3.975 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.976 11.048 -1.130 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.743 11.978 -2.597 1.00 0.56 H new ATOM 0 HG LEU A 11 3.144 9.596 -2.771 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.628 9.986 -0.869 1.00 1.12 H new ATOM 0 HD12 LEU A 11 3.260 9.522 -0.329 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.743 11.223 -0.241 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.320 11.238 -2.974 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.422 12.524 -2.427 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.726 11.687 -3.968 1.00 1.64 H new ATOM 177 N ASN A 12 7.395 9.588 -1.334 1.00 0.34 N ATOM 178 CA ASN A 12 8.710 9.672 -0.718 1.00 0.36 C ATOM 179 C ASN A 12 9.140 8.279 -0.292 1.00 0.37 C ATOM 180 O ASN A 12 8.297 7.427 -0.042 1.00 0.58 O ATOM 181 CB ASN A 12 8.673 10.605 0.493 1.00 0.42 C ATOM 182 CG ASN A 12 10.059 11.013 0.958 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.527 12.113 0.664 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.723 10.125 1.689 1.00 0.71 N ATOM 0 H ASN A 12 6.761 8.939 -0.868 1.00 0.34 H new ATOM 0 HA ASN A 12 9.424 10.076 -1.436 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.101 11.498 0.242 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.150 10.111 1.312 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.659 10.343 2.030 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.297 9.225 1.909 1.00 0.71 H new ATOM 191 N ILE A 13 10.441 8.037 -0.219 1.00 0.38 N ATOM 192 CA ILE A 13 10.932 6.723 0.171 1.00 0.43 C ATOM 193 C ILE A 13 12.213 6.816 0.994 1.00 0.53 C ATOM 194 O ILE A 13 13.277 7.143 0.469 1.00 0.75 O ATOM 195 CB ILE A 13 11.176 5.840 -1.061 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.851 6.660 -2.165 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.853 5.246 -1.540 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.865 5.977 -3.510 1.00 0.96 C ATOM 0 H ILE A 13 11.168 8.723 -0.422 1.00 0.38 H new ATOM 0 HA ILE A 13 10.159 6.269 0.791 1.00 0.43 H new ATOM 0 HB ILE A 13 11.842 5.018 -0.797 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.337 7.617 -2.259 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.877 6.877 -1.868 1.00 0.49 H new ATOM 0 HG21 ILE A 13 10.031 4.620 -2.414 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.416 4.642 -0.744 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.167 6.051 -1.803 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.359 6.619 -4.239 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.405 5.033 -3.433 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.841 5.784 -3.831 1.00 0.96 H new ATOM 210 N THR A 14 12.099 6.526 2.288 1.00 0.59 N ATOM 211 CA THR A 14 13.247 6.575 3.188 1.00 0.71 C ATOM 212 C THR A 14 13.784 5.183 3.465 1.00 0.79 C ATOM 213 O THR A 14 13.832 4.755 4.611 1.00 1.46 O ATOM 214 CB THR A 14 12.874 7.267 4.502 1.00 0.75 C ATOM 215 OG1 THR A 14 11.583 7.845 4.420 1.00 0.69 O ATOM 216 CG2 THR A 14 13.841 8.363 4.894 1.00 0.94 C ATOM 0 H THR A 14 11.224 6.255 2.736 1.00 0.59 H new ATOM 0 HA THR A 14 14.030 7.153 2.697 1.00 0.71 H new ATOM 0 HB THR A 14 12.907 6.483 5.259 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.926 7.236 4.818 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.520 8.813 5.833 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.839 7.941 5.016 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.862 9.125 4.115 1.00 0.94 H new ATOM 224 N ARG A 15 14.199 4.502 2.399 1.00 0.66 N ATOM 225 CA ARG A 15 14.761 3.151 2.487 1.00 0.67 C ATOM 226 C ARG A 15 13.891 2.205 3.320 1.00 0.71 C ATOM 227 O ARG A 15 13.195 1.348 2.780 1.00 1.19 O ATOM 228 CB ARG A 15 16.194 3.164 3.062 1.00 0.80 C ATOM 229 CG ARG A 15 16.762 4.537 3.427 1.00 0.96 C ATOM 230 CD ARG A 15 16.812 4.740 4.934 1.00 1.13 C ATOM 231 NE ARG A 15 17.798 5.744 5.320 1.00 1.43 N ATOM 232 CZ ARG A 15 19.096 5.492 5.452 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.564 4.271 5.230 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.926 6.462 5.806 1.00 1.90 N ATOM 0 H ARG A 15 14.156 4.869 1.448 1.00 0.66 H new ATOM 0 HA ARG A 15 14.789 2.778 1.463 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.211 2.538 3.954 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.860 2.700 2.334 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.765 4.638 3.012 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.149 5.317 2.974 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.828 5.043 5.291 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.050 3.793 5.419 1.00 1.13 H new ATOM 0 HE ARG A 15 17.472 6.694 5.499 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.927 3.522 4.957 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.561 4.081 5.332 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.569 7.402 5.977 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.922 6.269 5.907 1.00 1.90 H new ATOM 248 N HIS A 16 13.947 2.363 4.636 1.00 0.50 N ATOM 249 CA HIS A 16 13.179 1.519 5.549 1.00 0.54 C ATOM 250 C HIS A 16 11.740 2.006 5.688 1.00 0.57 C ATOM 251 O HIS A 16 10.818 1.205 5.840 1.00 0.97 O ATOM 252 CB HIS A 16 13.851 1.478 6.923 1.00 0.67 C ATOM 253 CG HIS A 16 15.275 1.012 6.881 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.092 0.943 7.988 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.027 0.584 5.834 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.288 0.487 7.589 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.301 0.254 6.291 1.00 0.86 N ATOM 0 H HIS A 16 14.518 3.070 5.099 1.00 0.50 H new ATOM 0 HA HIS A 16 13.154 0.514 5.128 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.816 2.474 7.365 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.281 0.819 7.577 1.00 0.67 H new ATOM 0 HD1 HIS A 16 15.833 1.194 8.942 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.691 0.511 4.810 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.131 0.331 8.245 1.00 1.02 H new ATOM 265 N THR A 17 11.549 3.317 5.640 1.00 0.43 N ATOM 266 CA THR A 17 10.215 3.891 5.763 1.00 0.42 C ATOM 267 C THR A 17 9.842 4.673 4.511 1.00 0.38 C ATOM 268 O THR A 17 10.347 5.770 4.278 1.00 0.56 O ATOM 269 CB THR A 17 10.141 4.802 6.989 1.00 0.56 C ATOM 270 OG1 THR A 17 11.347 5.528 7.144 1.00 0.65 O ATOM 271 CG2 THR A 17 9.887 4.049 8.277 1.00 0.68 C ATOM 0 H THR A 17 12.296 4.001 5.517 1.00 0.43 H new ATOM 0 HA THR A 17 9.504 3.073 5.883 1.00 0.42 H new ATOM 0 HB THR A 17 9.299 5.470 6.806 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.281 6.107 7.932 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.846 4.753 9.108 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.939 3.516 8.206 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.693 3.335 8.446 1.00 0.68 H new ATOM 279 N VAL A 18 8.954 4.102 3.705 1.00 0.27 N ATOM 280 CA VAL A 18 8.518 4.749 2.476 1.00 0.33 C ATOM 281 C VAL A 18 7.112 5.336 2.629 1.00 0.32 C ATOM 282 O VAL A 18 6.328 4.882 3.458 1.00 0.51 O ATOM 283 CB VAL A 18 8.572 3.771 1.282 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.937 3.105 1.193 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.448 2.765 1.350 1.00 0.80 C ATOM 0 H VAL A 18 8.523 3.194 3.881 1.00 0.27 H new ATOM 0 HA VAL A 18 9.207 5.569 2.274 1.00 0.33 H new ATOM 0 HB VAL A 18 8.430 4.340 0.363 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.953 2.420 0.345 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.705 3.866 1.059 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.132 2.551 2.111 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.512 2.090 0.497 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.529 2.191 2.273 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.491 3.287 1.329 1.00 0.80 H new ATOM 295 N THR A 19 6.812 6.354 1.829 1.00 0.27 N ATOM 296 CA THR A 19 5.515 7.025 1.873 1.00 0.24 C ATOM 297 C THR A 19 4.828 6.994 0.507 1.00 0.22 C ATOM 298 O THR A 19 5.391 7.469 -0.477 1.00 0.34 O ATOM 299 CB THR A 19 5.725 8.481 2.321 1.00 0.28 C ATOM 300 OG1 THR A 19 5.950 8.550 3.717 1.00 0.35 O ATOM 301 CG2 THR A 19 4.564 9.402 2.000 1.00 0.32 C ATOM 0 H THR A 19 7.455 6.736 1.136 1.00 0.27 H new ATOM 0 HA THR A 19 4.871 6.502 2.580 1.00 0.24 H new ATOM 0 HB THR A 19 6.593 8.821 1.757 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.082 9.484 3.981 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.792 10.409 2.348 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.400 9.419 0.923 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.664 9.040 2.498 1.00 0.32 H new ATOM 309 N LEU A 20 3.606 6.453 0.457 1.00 0.28 N ATOM 310 CA LEU A 20 2.854 6.389 -0.797 1.00 0.26 C ATOM 311 C LEU A 20 1.427 6.900 -0.626 1.00 0.28 C ATOM 312 O LEU A 20 0.889 6.952 0.483 1.00 0.40 O ATOM 313 CB LEU A 20 2.824 4.967 -1.378 1.00 0.33 C ATOM 314 CG LEU A 20 3.122 3.833 -0.399 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.562 3.908 0.077 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.157 3.862 0.773 1.00 0.52 C ATOM 0 H LEU A 20 3.122 6.057 1.263 1.00 0.28 H new ATOM 0 HA LEU A 20 3.378 7.038 -1.498 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.839 4.795 -1.812 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.546 4.915 -2.193 1.00 0.33 H new ATOM 0 HG LEU A 20 2.984 2.885 -0.919 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.758 3.093 0.774 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.233 3.823 -0.778 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.731 4.862 0.577 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.389 3.045 1.456 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.251 4.812 1.299 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.136 3.750 0.407 1.00 0.52 H new ATOM 328 N LYS A 21 0.829 7.272 -1.753 1.00 0.25 N ATOM 329 CA LYS A 21 -0.538 7.785 -1.792 1.00 0.31 C ATOM 330 C LYS A 21 -1.259 7.241 -3.023 1.00 0.31 C ATOM 331 O LYS A 21 -0.615 6.849 -3.996 1.00 0.51 O ATOM 332 CB LYS A 21 -0.518 9.320 -1.815 1.00 0.40 C ATOM 333 CG LYS A 21 -1.851 9.959 -2.184 1.00 0.81 C ATOM 334 CD LYS A 21 -2.850 9.860 -1.044 1.00 0.95 C ATOM 335 CE LYS A 21 -3.027 11.199 -0.348 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.322 11.277 0.380 1.00 1.84 N ATOM 0 H LYS A 21 1.279 7.227 -2.667 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.073 7.457 -0.901 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.214 9.682 -0.833 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.239 9.651 -2.525 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.695 11.006 -2.442 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.258 9.470 -3.069 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.811 9.518 -1.428 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.511 9.115 -0.324 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.207 11.356 0.352 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.975 12.001 -1.084 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.220 11.903 1.204 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -5.054 11.656 -0.254 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.599 10.327 0.699 1.00 1.84 H new ATOM 350 N TRP A 22 -2.588 7.210 -2.986 1.00 0.25 N ATOM 351 CA TRP A 22 -3.350 6.699 -4.120 1.00 0.24 C ATOM 352 C TRP A 22 -4.707 7.380 -4.258 1.00 0.24 C ATOM 353 O TRP A 22 -5.036 8.304 -3.517 1.00 0.40 O ATOM 354 CB TRP A 22 -3.543 5.192 -3.984 1.00 0.27 C ATOM 355 CG TRP A 22 -4.193 4.779 -2.703 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.495 4.418 -2.526 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.569 4.676 -1.417 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.722 4.099 -1.211 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.557 4.250 -0.510 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.273 4.903 -0.943 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.291 4.048 0.839 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.011 4.700 0.399 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.018 4.276 1.277 1.00 0.32 C ATOM 0 H TRP A 22 -3.152 7.527 -2.197 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.777 6.920 -5.020 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.147 4.836 -4.818 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.572 4.703 -4.062 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.240 4.387 -3.307 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.615 3.798 -0.820 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.492 5.231 -1.613 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.065 3.722 1.518 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.014 4.871 0.777 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.782 4.127 2.320 1.00 0.32 H new ATOM 374 N ALA A 23 -5.488 6.905 -5.224 1.00 0.31 N ATOM 375 CA ALA A 23 -6.816 7.445 -5.485 1.00 0.33 C ATOM 376 C ALA A 23 -7.879 6.637 -4.753 1.00 0.36 C ATOM 377 O ALA A 23 -7.999 5.430 -4.956 1.00 0.83 O ATOM 378 CB ALA A 23 -7.096 7.441 -6.980 1.00 0.36 C ATOM 0 H ALA A 23 -5.220 6.140 -5.843 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.849 8.471 -5.118 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.091 7.846 -7.165 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.354 8.054 -7.491 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.045 6.420 -7.357 1.00 0.36 H new ATOM 384 N LYS A 24 -8.651 7.299 -3.901 1.00 0.59 N ATOM 385 CA LYS A 24 -9.698 6.617 -3.151 1.00 0.61 C ATOM 386 C LYS A 24 -10.787 6.099 -4.096 1.00 0.59 C ATOM 387 O LYS A 24 -11.031 6.685 -5.151 1.00 0.69 O ATOM 388 CB LYS A 24 -10.280 7.552 -2.069 1.00 0.74 C ATOM 389 CG LYS A 24 -11.562 8.286 -2.458 1.00 1.21 C ATOM 390 CD LYS A 24 -12.795 7.509 -2.026 1.00 1.22 C ATOM 391 CE LYS A 24 -14.058 8.348 -2.145 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.258 7.506 -2.405 1.00 2.11 N ATOM 0 H LYS A 24 -8.574 8.299 -3.713 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.265 5.754 -2.646 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.476 6.964 -1.172 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -9.523 8.291 -1.807 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.572 9.274 -1.998 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.584 8.437 -3.537 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.894 6.613 -2.639 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -12.674 7.178 -0.995 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.205 8.916 -1.227 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.939 9.071 -2.952 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.087 8.118 -2.547 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.101 6.932 -3.258 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.425 6.880 -1.592 1.00 2.11 H new ATOM 406 N PRO A 25 -11.451 4.989 -3.725 1.00 0.56 N ATOM 407 CA PRO A 25 -12.516 4.387 -4.534 1.00 0.63 C ATOM 408 C PRO A 25 -13.484 5.422 -5.104 1.00 0.75 C ATOM 409 O PRO A 25 -13.398 6.609 -4.788 1.00 0.89 O ATOM 410 CB PRO A 25 -13.227 3.484 -3.534 1.00 0.63 C ATOM 411 CG PRO A 25 -12.148 3.052 -2.604 1.00 0.71 C ATOM 412 CD PRO A 25 -11.211 4.227 -2.483 1.00 0.58 C ATOM 0 HA PRO A 25 -12.124 3.868 -5.409 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.018 4.018 -3.007 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.693 2.631 -4.028 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.557 2.777 -1.632 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.627 2.176 -2.990 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.428 4.824 -1.597 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.172 3.906 -2.404 1.00 0.58 H new ATOM 420 N GLU A 26 -14.402 4.967 -5.951 1.00 0.85 N ATOM 421 CA GLU A 26 -15.374 5.864 -6.566 1.00 1.05 C ATOM 422 C GLU A 26 -16.806 5.542 -6.139 1.00 0.95 C ATOM 423 O GLU A 26 -17.670 6.419 -6.155 1.00 1.12 O ATOM 424 CB GLU A 26 -15.263 5.790 -8.091 1.00 1.29 C ATOM 425 CG GLU A 26 -15.422 4.385 -8.645 1.00 1.83 C ATOM 426 CD GLU A 26 -16.391 4.323 -9.809 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.450 5.298 -10.586 1.00 2.53 O ATOM 428 OE2 GLU A 26 -17.092 3.297 -9.943 1.00 2.77 O ATOM 0 H GLU A 26 -14.493 3.989 -6.226 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.145 6.874 -6.225 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.023 6.434 -8.534 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.294 6.184 -8.396 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.449 4.013 -8.967 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.770 3.723 -7.852 1.00 1.83 H new ATOM 435 N TYR A 27 -17.062 4.291 -5.769 1.00 0.85 N ATOM 436 CA TYR A 27 -18.405 3.892 -5.356 1.00 0.84 C ATOM 437 C TYR A 27 -18.417 3.262 -3.965 1.00 0.86 C ATOM 438 O TYR A 27 -18.918 3.859 -3.013 1.00 1.37 O ATOM 439 CB TYR A 27 -19.003 2.918 -6.375 1.00 0.86 C ATOM 440 CG TYR A 27 -20.515 2.946 -6.422 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.186 3.882 -7.198 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.269 2.037 -5.691 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.566 3.912 -7.247 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.651 2.059 -5.734 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.296 2.992 -6.505 1.00 1.19 C ATOM 446 OH TYR A 27 -24.673 3.030 -6.561 1.00 1.35 O ATOM 0 H TYR A 27 -16.368 3.544 -5.746 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.012 4.796 -5.312 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.612 3.155 -7.365 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.674 1.907 -6.136 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.619 4.599 -7.773 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.768 1.301 -5.079 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.073 4.645 -7.857 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.221 1.343 -5.161 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.043 2.325 -5.990 1.00 1.35 H new ATOM 456 N THR A 28 -17.877 2.052 -3.853 1.00 0.65 N ATOM 457 CA THR A 28 -17.843 1.346 -2.575 1.00 0.61 C ATOM 458 C THR A 28 -19.246 1.210 -1.999 1.00 0.66 C ATOM 459 O THR A 28 -19.502 1.615 -0.866 1.00 0.81 O ATOM 460 CB THR A 28 -16.937 2.072 -1.581 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.548 3.260 -1.108 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.592 2.442 -2.164 1.00 0.79 C ATOM 0 H THR A 28 -17.458 1.540 -4.629 1.00 0.65 H new ATOM 0 HA THR A 28 -17.439 0.349 -2.751 1.00 0.61 H new ATOM 0 HB THR A 28 -16.781 1.366 -0.765 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.425 3.367 -1.531 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.996 2.954 -1.408 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.073 1.538 -2.484 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.735 3.100 -3.021 1.00 0.79 H new ATOM 470 N GLY A 29 -20.152 0.634 -2.792 1.00 0.75 N ATOM 471 CA GLY A 29 -21.531 0.446 -2.358 1.00 0.80 C ATOM 472 C GLY A 29 -22.074 1.645 -1.596 1.00 0.85 C ATOM 473 O GLY A 29 -22.576 2.599 -2.190 1.00 1.01 O ATOM 0 H GLY A 29 -19.954 0.293 -3.732 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.159 0.259 -3.229 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.591 -0.439 -1.725 1.00 0.80 H new ATOM 477 N GLY A 30 -21.948 1.592 -0.277 1.00 0.83 N ATOM 478 CA GLY A 30 -22.398 2.668 0.579 1.00 0.89 C ATOM 479 C GLY A 30 -21.558 2.688 1.830 1.00 0.85 C ATOM 480 O GLY A 30 -22.038 2.976 2.926 1.00 0.98 O ATOM 0 H GLY A 30 -21.533 0.805 0.222 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.318 3.622 0.057 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.449 2.531 0.834 1.00 0.89 H new ATOM 484 N PHE A 31 -20.291 2.341 1.642 1.00 0.73 N ATOM 485 CA PHE A 31 -19.330 2.263 2.724 1.00 0.69 C ATOM 486 C PHE A 31 -18.240 3.325 2.584 1.00 0.67 C ATOM 487 O PHE A 31 -17.798 3.631 1.477 1.00 0.74 O ATOM 488 CB PHE A 31 -18.693 0.868 2.730 1.00 0.63 C ATOM 489 CG PHE A 31 -19.568 -0.224 2.170 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.516 -0.859 2.962 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.441 -0.611 0.846 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.314 -1.860 2.440 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.237 -1.611 0.320 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.189 -2.242 1.153 1.00 0.83 C ATOM 0 H PHE A 31 -19.904 2.105 0.728 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.854 2.444 3.663 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.767 0.903 2.156 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.424 0.610 3.754 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.631 -0.568 3.996 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.710 -0.125 0.216 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.046 -2.342 3.071 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -20.133 -1.906 -0.714 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.815 -3.029 0.759 1.00 0.83 H new ATOM 504 N LYS A 32 -17.808 3.874 3.717 1.00 0.68 N ATOM 505 CA LYS A 32 -16.763 4.896 3.730 1.00 0.72 C ATOM 506 C LYS A 32 -15.372 4.274 3.905 1.00 0.66 C ATOM 507 O LYS A 32 -14.360 4.964 3.792 1.00 0.74 O ATOM 508 CB LYS A 32 -17.025 5.905 4.852 1.00 0.86 C ATOM 509 CG LYS A 32 -16.414 7.274 4.597 1.00 1.38 C ATOM 510 CD LYS A 32 -14.933 7.301 4.946 1.00 1.38 C ATOM 511 CE LYS A 32 -14.589 8.484 5.839 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.715 9.781 5.117 1.00 2.26 N ATOM 0 H LYS A 32 -18.166 3.628 4.640 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.787 5.408 2.768 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.101 6.016 4.985 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.628 5.508 5.786 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.546 7.542 3.549 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.941 8.024 5.187 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -14.660 6.373 5.449 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -14.344 7.352 4.030 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.248 8.487 6.708 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -13.571 8.373 6.212 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.472 10.561 5.760 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.068 9.789 4.303 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.693 9.899 4.783 1.00 2.26 H new ATOM 526 N ILE A 33 -15.327 2.972 4.183 1.00 0.67 N ATOM 527 CA ILE A 33 -14.066 2.265 4.372 1.00 0.66 C ATOM 528 C ILE A 33 -13.396 2.656 5.686 1.00 0.80 C ATOM 529 O ILE A 33 -13.424 1.897 6.654 1.00 1.71 O ATOM 530 CB ILE A 33 -13.095 2.520 3.206 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.775 2.235 1.866 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.849 1.666 3.362 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.168 2.999 0.710 1.00 0.91 C ATOM 0 H ILE A 33 -16.155 2.385 4.282 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.307 1.202 4.403 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.802 3.570 3.224 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.716 1.167 1.657 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.833 2.487 1.943 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.171 1.857 2.530 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.352 1.915 4.300 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.128 0.612 3.368 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.698 2.750 -0.209 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -13.251 4.069 0.898 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.117 2.729 0.607 1.00 0.91 H new ATOM 545 N THR A 34 -12.799 3.842 5.718 1.00 0.72 N ATOM 546 CA THR A 34 -12.130 4.331 6.918 1.00 0.73 C ATOM 547 C THR A 34 -10.810 3.598 7.173 1.00 0.59 C ATOM 548 O THR A 34 -10.288 3.630 8.287 1.00 0.76 O ATOM 549 CB THR A 34 -13.042 4.187 8.144 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.841 2.934 8.777 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.517 4.304 7.820 1.00 1.15 C ATOM 0 H THR A 34 -12.765 4.483 4.926 1.00 0.72 H new ATOM 0 HA THR A 34 -11.908 5.385 6.753 1.00 0.73 H new ATOM 0 HB THR A 34 -12.766 5.013 8.800 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.088 2.213 8.161 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.100 4.192 8.734 1.00 1.15 H new ATOM 0 HG22 THR A 34 -14.716 5.281 7.380 1.00 1.15 H new ATOM 0 HG23 THR A 34 -14.797 3.523 7.113 1.00 1.15 H new ATOM 559 N SER A 35 -10.270 2.938 6.149 1.00 0.49 N ATOM 560 CA SER A 35 -9.011 2.211 6.305 1.00 0.47 C ATOM 561 C SER A 35 -8.578 1.526 5.010 1.00 0.45 C ATOM 562 O SER A 35 -9.408 1.059 4.230 1.00 0.72 O ATOM 563 CB SER A 35 -9.143 1.167 7.415 1.00 0.64 C ATOM 564 OG SER A 35 -7.920 1.003 8.112 1.00 1.58 O ATOM 0 H SER A 35 -10.678 2.891 5.215 1.00 0.49 H new ATOM 0 HA SER A 35 -8.246 2.941 6.569 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.924 1.470 8.112 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.451 0.213 6.986 1.00 0.64 H new ATOM 0 HG SER A 35 -8.033 0.332 8.817 1.00 1.58 H new ATOM 570 N TYR A 36 -7.265 1.467 4.795 1.00 0.27 N ATOM 571 CA TYR A 36 -6.701 0.836 3.605 1.00 0.28 C ATOM 572 C TYR A 36 -5.554 -0.097 3.971 1.00 0.33 C ATOM 573 O TYR A 36 -4.448 0.353 4.269 1.00 0.68 O ATOM 574 CB TYR A 36 -6.197 1.892 2.624 1.00 0.29 C ATOM 575 CG TYR A 36 -7.266 2.859 2.172 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.180 2.504 1.190 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.362 4.127 2.732 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.159 3.385 0.776 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.338 5.014 2.324 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.234 4.639 1.346 1.00 0.60 C ATOM 581 OH TYR A 36 -10.209 5.519 0.936 1.00 0.76 O ATOM 0 H TYR A 36 -6.569 1.851 5.434 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.494 0.254 3.135 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.387 2.452 3.091 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.778 1.393 1.750 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.125 1.523 0.742 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.662 4.423 3.499 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.862 3.094 0.010 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.399 5.996 2.769 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.125 6.357 1.437 1.00 0.76 H new ATOM 591 N ILE A 37 -5.819 -1.398 3.942 1.00 0.24 N ATOM 592 CA ILE A 37 -4.797 -2.383 4.264 1.00 0.26 C ATOM 593 C ILE A 37 -3.860 -2.584 3.081 1.00 0.33 C ATOM 594 O ILE A 37 -4.141 -3.381 2.186 1.00 0.70 O ATOM 595 CB ILE A 37 -5.419 -3.739 4.642 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.564 -3.542 5.637 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.358 -4.657 5.221 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.478 -4.741 5.744 1.00 1.14 C ATOM 0 H ILE A 37 -6.728 -1.792 3.700 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.239 -2.001 5.119 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.825 -4.202 3.743 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.148 -3.323 6.620 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.150 -2.673 5.338 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.809 -5.614 5.485 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.573 -4.818 4.482 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.929 -4.200 6.113 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.267 -4.533 6.466 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.922 -4.948 4.770 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.904 -5.608 6.073 1.00 1.14 H new ATOM 610 N VAL A 38 -2.749 -1.853 3.073 1.00 0.36 N ATOM 611 CA VAL A 38 -1.790 -1.961 1.983 1.00 0.42 C ATOM 612 C VAL A 38 -0.724 -3.015 2.281 1.00 0.35 C ATOM 613 O VAL A 38 0.167 -2.808 3.108 1.00 0.48 O ATOM 614 CB VAL A 38 -1.145 -0.585 1.654 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.777 0.150 2.930 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.066 -0.707 0.725 1.00 0.51 C ATOM 0 H VAL A 38 -2.494 -1.187 3.802 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.338 -2.287 1.099 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.893 -0.004 1.115 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.327 1.111 2.680 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.674 0.314 3.527 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.065 -0.446 3.501 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.476 0.284 0.529 1.00 0.51 H new ATOM 0 HG22 VAL A 38 0.827 -1.327 1.199 1.00 0.51 H new ATOM 0 HG23 VAL A 38 -0.241 -1.165 -0.215 1.00 0.51 H new ATOM 626 N GLU A 39 -0.832 -4.147 1.589 1.00 0.30 N ATOM 627 CA GLU A 39 0.102 -5.254 1.748 1.00 0.33 C ATOM 628 C GLU A 39 1.466 -4.914 1.151 1.00 0.32 C ATOM 629 O GLU A 39 1.610 -3.931 0.423 1.00 0.43 O ATOM 630 CB GLU A 39 -0.466 -6.510 1.083 1.00 0.42 C ATOM 631 CG GLU A 39 -1.930 -6.764 1.411 1.00 0.51 C ATOM 632 CD GLU A 39 -2.150 -8.081 2.128 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.557 -8.276 3.210 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.914 -8.920 1.606 1.00 1.52 O ATOM 0 H GLU A 39 -1.568 -4.320 0.905 1.00 0.30 H new ATOM 0 HA GLU A 39 0.238 -5.438 2.814 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.355 -6.421 0.002 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.122 -7.373 1.394 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.305 -5.950 2.032 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.511 -6.756 0.489 1.00 0.51 H new ATOM 641 N LYS A 40 2.467 -5.733 1.468 1.00 0.28 N ATOM 642 CA LYS A 40 3.822 -5.516 0.968 1.00 0.31 C ATOM 643 C LYS A 40 4.396 -6.785 0.348 1.00 0.29 C ATOM 644 O LYS A 40 4.036 -7.897 0.733 1.00 0.35 O ATOM 645 CB LYS A 40 4.736 -5.044 2.104 1.00 0.43 C ATOM 646 CG LYS A 40 4.578 -5.853 3.382 1.00 0.92 C ATOM 647 CD LYS A 40 5.893 -5.965 4.138 1.00 1.14 C ATOM 648 CE LYS A 40 6.144 -7.385 4.617 1.00 1.65 C ATOM 649 NZ LYS A 40 6.569 -7.421 6.043 1.00 1.97 N ATOM 0 H LYS A 40 2.365 -6.552 2.068 1.00 0.28 H new ATOM 0 HA LYS A 40 3.771 -4.748 0.196 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.773 -5.100 1.773 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.526 -3.996 2.318 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.829 -5.384 4.020 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.211 -6.850 3.139 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.712 -5.648 3.493 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.881 -5.289 4.993 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.236 -7.976 4.493 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.912 -7.847 3.997 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.730 -8.407 6.332 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.449 -6.878 6.157 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.825 -7.003 6.638 1.00 1.97 H new ATOM 663 N ARG A 41 5.302 -6.602 -0.607 1.00 0.36 N ATOM 664 CA ARG A 41 5.948 -7.720 -1.283 1.00 0.40 C ATOM 665 C ARG A 41 7.432 -7.427 -1.468 1.00 0.41 C ATOM 666 O ARG A 41 7.818 -6.628 -2.323 1.00 0.43 O ATOM 667 CB ARG A 41 5.288 -7.990 -2.640 1.00 0.46 C ATOM 668 CG ARG A 41 5.900 -9.154 -3.403 1.00 0.58 C ATOM 669 CD ARG A 41 5.405 -9.197 -4.840 1.00 0.88 C ATOM 670 NE ARG A 41 4.418 -10.251 -5.059 1.00 0.95 N ATOM 671 CZ ARG A 41 3.794 -10.439 -6.219 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.051 -9.649 -7.252 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.910 -11.421 -6.345 1.00 1.44 N ATOM 0 H ARG A 41 5.606 -5.684 -0.931 1.00 0.36 H new ATOM 0 HA ARG A 41 5.834 -8.611 -0.666 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.228 -8.188 -2.484 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.358 -7.091 -3.252 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.986 -9.066 -3.393 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.651 -10.090 -2.903 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.967 -8.233 -5.099 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.252 -9.352 -5.508 1.00 0.88 H new ATOM 0 HE ARG A 41 4.196 -10.875 -4.283 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.730 -8.893 -7.160 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.570 -9.797 -8.139 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.709 -12.031 -5.553 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.431 -11.565 -7.234 1.00 1.44 H new ATOM 687 N ASP A 42 8.257 -8.073 -0.649 1.00 0.50 N ATOM 688 CA ASP A 42 9.701 -7.884 -0.707 1.00 0.57 C ATOM 689 C ASP A 42 10.286 -8.523 -1.960 1.00 0.62 C ATOM 690 O ASP A 42 10.404 -9.746 -2.048 1.00 0.91 O ATOM 691 CB ASP A 42 10.358 -8.486 0.535 1.00 0.71 C ATOM 692 CG ASP A 42 9.428 -9.411 1.296 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.198 -9.309 1.105 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.930 -10.241 2.083 1.00 1.59 O ATOM 0 H ASP A 42 7.948 -8.734 0.064 1.00 0.50 H new ATOM 0 HA ASP A 42 9.902 -6.813 -0.741 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.250 -9.037 0.238 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.685 -7.682 1.195 1.00 0.71 H new ATOM 699 N LEU A 43 10.657 -7.692 -2.925 1.00 0.63 N ATOM 700 CA LEU A 43 11.236 -8.187 -4.170 1.00 0.68 C ATOM 701 C LEU A 43 12.696 -8.592 -3.962 1.00 0.81 C ATOM 702 O LEU A 43 13.380 -8.039 -3.100 1.00 0.90 O ATOM 703 CB LEU A 43 11.139 -7.121 -5.272 1.00 0.62 C ATOM 704 CG LEU A 43 9.720 -6.756 -5.744 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.755 -7.925 -5.586 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.209 -5.538 -4.994 1.00 0.80 C ATOM 0 H LEU A 43 10.569 -6.677 -2.872 1.00 0.63 H new ATOM 0 HA LEU A 43 10.670 -9.065 -4.481 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.625 -6.213 -4.914 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.708 -7.468 -6.135 1.00 0.62 H new ATOM 0 HG LEU A 43 9.776 -6.518 -6.806 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.764 -7.628 -5.930 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.107 -8.770 -6.179 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.703 -8.215 -4.536 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.205 -5.293 -5.339 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.183 -5.753 -3.926 1.00 0.80 H new ATOM 0 HD23 LEU A 43 9.872 -4.693 -5.178 1.00 0.80 H new ATOM 718 N PRO A 44 13.199 -9.568 -4.745 1.00 0.92 N ATOM 719 CA PRO A 44 12.437 -10.257 -5.779 1.00 0.99 C ATOM 720 C PRO A 44 11.782 -11.537 -5.269 1.00 1.15 C ATOM 721 O PRO A 44 11.459 -12.433 -6.050 1.00 1.43 O ATOM 722 CB PRO A 44 13.517 -10.582 -6.805 1.00 1.15 C ATOM 723 CG PRO A 44 14.762 -10.800 -5.999 1.00 1.25 C ATOM 724 CD PRO A 44 14.578 -10.078 -4.680 1.00 1.08 C ATOM 0 HA PRO A 44 11.610 -9.659 -6.162 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.259 -11.470 -7.382 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.645 -9.766 -7.516 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.931 -11.864 -5.834 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.634 -10.417 -6.528 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.716 -10.751 -3.834 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.298 -9.268 -4.564 1.00 1.08 H new ATOM 732 N ASN A 45 11.589 -11.621 -3.956 1.00 1.14 N ATOM 733 CA ASN A 45 10.975 -12.799 -3.351 1.00 1.33 C ATOM 734 C ASN A 45 10.179 -12.429 -2.102 1.00 1.43 C ATOM 735 O ASN A 45 10.615 -12.681 -0.979 1.00 2.42 O ATOM 736 CB ASN A 45 12.047 -13.831 -2.998 1.00 1.66 C ATOM 737 CG ASN A 45 13.279 -13.198 -2.383 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.179 -12.364 -1.483 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.452 -13.590 -2.866 1.00 1.89 N ATOM 0 H ASN A 45 11.848 -10.891 -3.293 1.00 1.14 H new ATOM 0 HA ASN A 45 10.287 -13.229 -4.079 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.631 -14.560 -2.302 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.333 -14.376 -3.898 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.315 -13.197 -2.491 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.490 -14.284 -3.613 1.00 1.89 H new ATOM 746 N GLY A 46 9.008 -11.833 -2.307 1.00 0.90 N ATOM 747 CA GLY A 46 8.166 -11.442 -1.191 1.00 1.12 C ATOM 748 C GLY A 46 6.725 -11.885 -1.370 1.00 0.76 C ATOM 749 O GLY A 46 6.371 -12.464 -2.397 1.00 0.96 O ATOM 0 H GLY A 46 8.627 -11.614 -3.227 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.564 -11.871 -0.271 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.199 -10.358 -1.077 1.00 1.12 H new ATOM 753 N ARG A 47 5.893 -11.614 -0.369 1.00 0.80 N ATOM 754 CA ARG A 47 4.484 -11.989 -0.423 1.00 0.76 C ATOM 755 C ARG A 47 3.592 -10.741 -0.397 1.00 0.85 C ATOM 756 O ARG A 47 3.982 -9.690 -0.902 1.00 1.71 O ATOM 757 CB ARG A 47 4.149 -12.935 0.736 1.00 0.99 C ATOM 758 CG ARG A 47 4.107 -12.255 2.096 1.00 1.31 C ATOM 759 CD ARG A 47 5.405 -12.460 2.860 1.00 1.11 C ATOM 760 NE ARG A 47 5.638 -13.867 3.181 1.00 1.41 N ATOM 761 CZ ARG A 47 6.565 -14.283 4.037 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.343 -13.403 4.655 1.00 2.03 N ATOM 763 NH2 ARG A 47 6.717 -15.578 4.278 1.00 2.41 N ATOM 0 H ARG A 47 6.170 -11.136 0.489 1.00 0.80 H new ATOM 0 HA ARG A 47 4.292 -12.513 -1.359 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.182 -13.401 0.544 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.888 -13.735 0.764 1.00 0.99 H new ATOM 0 HG2 ARG A 47 3.925 -11.188 1.965 1.00 1.31 H new ATOM 0 HG3 ARG A 47 3.275 -12.652 2.677 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.238 -12.081 2.267 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.379 -11.878 3.781 1.00 1.11 H new ATOM 0 HE ARG A 47 5.057 -14.568 2.722 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.230 -12.406 4.473 1.00 2.03 H new ATOM 0 HH12 ARG A 47 8.054 -13.724 5.312 1.00 2.03 H new ATOM 0 HH21 ARG A 47 6.121 -16.258 3.806 1.00 2.41 H new ATOM 0 HH22 ARG A 47 7.430 -15.894 4.936 1.00 2.41 H new ATOM 777 N TRP A 48 2.399 -10.853 0.186 1.00 0.50 N ATOM 778 CA TRP A 48 1.485 -9.743 0.264 1.00 0.43 C ATOM 779 C TRP A 48 0.848 -9.657 1.645 1.00 0.45 C ATOM 780 O TRP A 48 -0.322 -9.992 1.825 1.00 0.65 O ATOM 781 CB TRP A 48 0.413 -9.863 -0.821 1.00 0.47 C ATOM 782 CG TRP A 48 0.945 -9.542 -2.180 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.842 -10.293 -3.315 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.681 -8.375 -2.536 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.473 -9.651 -4.357 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.995 -8.472 -3.900 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.102 -7.256 -1.823 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.713 -7.488 -4.569 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.816 -6.274 -2.483 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.115 -6.396 -3.847 1.00 0.38 C ATOM 0 H TRP A 48 2.052 -11.713 0.611 1.00 0.50 H new ATOM 0 HA TRP A 48 2.046 -8.824 0.098 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.010 -10.876 -0.821 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.413 -9.191 -0.588 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.341 -11.247 -3.385 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.540 -9.998 -5.314 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.874 -7.157 -0.772 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.945 -7.581 -5.620 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.148 -5.401 -1.941 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.674 -5.613 -4.338 1.00 0.38 H new ATOM 801 N LEU A 49 1.633 -9.203 2.618 1.00 0.38 N ATOM 802 CA LEU A 49 1.158 -9.064 3.988 1.00 0.42 C ATOM 803 C LEU A 49 1.042 -7.594 4.374 1.00 0.36 C ATOM 804 O LEU A 49 1.916 -6.786 4.058 1.00 0.39 O ATOM 805 CB LEU A 49 2.096 -9.788 4.953 1.00 0.52 C ATOM 806 CG LEU A 49 1.547 -11.098 5.522 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.318 -10.831 6.380 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.214 -12.068 4.398 1.00 0.84 C ATOM 0 H LEU A 49 2.605 -8.925 2.480 1.00 0.38 H new ATOM 0 HA LEU A 49 0.169 -9.517 4.052 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.033 -9.997 4.438 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.330 -9.119 5.781 1.00 0.52 H new ATOM 0 HG LEU A 49 2.314 -11.551 6.151 1.00 0.67 H new ATOM 0 HD11 LEU A 49 -0.060 -11.773 6.777 1.00 1.28 H new ATOM 0 HD12 LEU A 49 0.587 -10.171 7.205 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.454 -10.357 5.773 1.00 1.28 H new ATOM 0 HD21 LEU A 49 0.825 -12.994 4.820 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.463 -11.624 3.744 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.115 -12.282 3.823 1.00 0.84 H new ATOM 820 N LYS A 50 -0.048 -7.253 5.051 1.00 0.40 N ATOM 821 CA LYS A 50 -0.292 -5.880 5.477 1.00 0.40 C ATOM 822 C LYS A 50 0.893 -5.306 6.249 1.00 0.47 C ATOM 823 O LYS A 50 0.978 -5.450 7.469 1.00 0.85 O ATOM 824 CB LYS A 50 -1.558 -5.812 6.334 1.00 0.59 C ATOM 825 CG LYS A 50 -1.584 -6.809 7.481 1.00 0.72 C ATOM 826 CD LYS A 50 -2.987 -6.962 8.048 1.00 1.03 C ATOM 827 CE LYS A 50 -3.423 -5.712 8.796 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.492 -6.004 9.791 1.00 1.30 N ATOM 0 H LYS A 50 -0.780 -7.911 5.318 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.427 -5.276 4.580 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.656 -4.805 6.740 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.425 -5.985 5.697 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.223 -7.777 7.133 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.905 -6.479 8.268 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.688 -7.166 7.239 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.018 -7.819 8.720 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.564 -5.275 9.304 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.783 -4.970 8.084 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.761 -5.126 10.279 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.322 -6.397 9.303 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.140 -6.693 10.486 1.00 1.30 H new ATOM 842 N ALA A 51 1.801 -4.642 5.534 1.00 0.45 N ATOM 843 CA ALA A 51 2.968 -4.036 6.166 1.00 0.63 C ATOM 844 C ALA A 51 2.527 -3.118 7.290 1.00 0.55 C ATOM 845 O ALA A 51 3.033 -3.185 8.410 1.00 0.72 O ATOM 846 CB ALA A 51 3.785 -3.251 5.149 1.00 0.86 C ATOM 0 H ALA A 51 1.750 -4.512 4.524 1.00 0.45 H new ATOM 0 HA ALA A 51 3.593 -4.832 6.572 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.650 -2.808 5.642 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.122 -3.921 4.358 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.169 -2.462 4.718 1.00 0.86 H new ATOM 852 N ASN A 52 1.567 -2.258 6.971 1.00 0.42 N ATOM 853 CA ASN A 52 1.020 -1.306 7.934 1.00 0.43 C ATOM 854 C ASN A 52 0.756 -1.986 9.283 1.00 0.59 C ATOM 855 O ASN A 52 1.507 -1.797 10.240 1.00 1.60 O ATOM 856 CB ASN A 52 -0.267 -0.684 7.360 1.00 0.38 C ATOM 857 CG ASN A 52 -1.190 -0.088 8.410 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.778 0.746 9.217 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.447 -0.518 8.400 1.00 0.62 N ATOM 0 H ASN A 52 1.147 -2.200 6.043 1.00 0.42 H new ATOM 0 HA ASN A 52 1.747 -0.512 8.109 1.00 0.43 H new ATOM 0 HB2 ASN A 52 0.005 0.094 6.647 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.811 -1.448 6.805 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.115 -0.156 9.080 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.744 -1.210 7.712 1.00 0.62 H new ATOM 866 N PHE A 53 -0.309 -2.777 9.347 1.00 0.81 N ATOM 867 CA PHE A 53 -0.658 -3.478 10.577 1.00 0.82 C ATOM 868 C PHE A 53 -0.859 -2.493 11.722 1.00 0.84 C ATOM 869 O PHE A 53 -0.399 -2.723 12.840 1.00 1.20 O ATOM 870 CB PHE A 53 0.438 -4.481 10.939 1.00 0.96 C ATOM 871 CG PHE A 53 -0.095 -5.830 11.316 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.261 -5.951 12.056 1.00 1.68 C ATOM 873 CD2 PHE A 53 0.573 -6.981 10.932 1.00 1.32 C ATOM 874 CE1 PHE A 53 -1.750 -7.196 12.403 1.00 2.08 C ATOM 875 CE2 PHE A 53 0.090 -8.227 11.277 1.00 1.66 C ATOM 876 CZ PHE A 53 -1.091 -8.327 12.019 1.00 1.96 C ATOM 0 H PHE A 53 -0.943 -2.948 8.566 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.593 -4.013 10.413 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.116 -4.589 10.092 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.024 -4.085 11.768 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.793 -5.063 12.365 1.00 1.68 H new ATOM 0 HD2 PHE A 53 1.483 -6.902 10.356 1.00 1.32 H new ATOM 0 HE1 PHE A 53 -2.659 -7.274 12.981 1.00 2.08 H new ATOM 0 HE2 PHE A 53 0.620 -9.118 10.976 1.00 1.66 H new ATOM 0 HZ PHE A 53 -1.481 -9.298 12.288 1.00 1.96 H new ATOM 886 N SER A 54 -1.547 -1.392 11.436 1.00 0.79 N ATOM 887 CA SER A 54 -1.808 -0.371 12.442 1.00 0.89 C ATOM 888 C SER A 54 -3.094 0.389 12.133 1.00 0.95 C ATOM 889 O SER A 54 -4.103 0.228 12.819 1.00 1.89 O ATOM 890 CB SER A 54 -0.632 0.606 12.524 1.00 1.00 C ATOM 891 OG SER A 54 -1.046 1.860 13.037 1.00 1.71 O ATOM 0 H SER A 54 -1.934 -1.185 10.515 1.00 0.79 H new ATOM 0 HA SER A 54 -1.927 -0.870 13.404 1.00 0.89 H new ATOM 0 HB2 SER A 54 0.148 0.189 13.161 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.197 0.740 11.534 1.00 1.00 H new ATOM 0 HG SER A 54 -0.277 2.465 13.081 1.00 1.71 H new ATOM 897 N ASN A 55 -3.050 1.220 11.096 1.00 0.75 N ATOM 898 CA ASN A 55 -4.213 2.007 10.698 1.00 0.69 C ATOM 899 C ASN A 55 -3.888 2.888 9.495 1.00 0.66 C ATOM 900 O ASN A 55 -2.780 3.410 9.374 1.00 1.05 O ATOM 901 CB ASN A 55 -4.691 2.870 11.873 1.00 0.84 C ATOM 902 CG ASN A 55 -5.774 3.858 11.478 1.00 1.11 C ATOM 903 OD1 ASN A 55 -5.626 5.065 11.669 1.00 1.87 O ATOM 904 ND2 ASN A 55 -6.870 3.352 10.924 1.00 0.83 N ATOM 0 H ASN A 55 -2.223 1.366 10.517 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.010 1.321 10.412 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.069 2.222 12.664 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -3.842 3.415 12.286 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -7.629 3.970 10.639 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -6.952 2.345 10.784 1.00 0.83 H new ATOM 911 N ILE A 56 -4.866 3.050 8.610 1.00 0.40 N ATOM 912 CA ILE A 56 -4.694 3.870 7.418 1.00 0.33 C ATOM 913 C ILE A 56 -6.015 4.512 7.001 1.00 0.31 C ATOM 914 O ILE A 56 -6.551 4.222 5.930 1.00 0.53 O ATOM 915 CB ILE A 56 -4.131 3.048 6.242 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.844 2.336 6.661 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.877 3.945 5.041 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.195 1.550 5.542 1.00 0.69 C ATOM 0 H ILE A 56 -5.788 2.623 8.697 1.00 0.40 H new ATOM 0 HA ILE A 56 -3.978 4.652 7.670 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.867 2.295 5.959 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.135 3.075 7.034 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.065 1.661 7.488 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.480 3.349 4.219 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.812 4.412 4.731 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.157 4.718 5.310 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.288 1.072 5.912 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.887 0.788 5.184 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.942 2.224 4.723 1.00 0.69 H new ATOM 930 N LEU A 57 -6.535 5.384 7.863 1.00 0.44 N ATOM 931 CA LEU A 57 -7.797 6.075 7.604 1.00 0.45 C ATOM 932 C LEU A 57 -7.845 6.631 6.181 1.00 0.42 C ATOM 933 O LEU A 57 -8.604 6.144 5.343 1.00 0.60 O ATOM 934 CB LEU A 57 -7.995 7.205 8.619 1.00 0.48 C ATOM 935 CG LEU A 57 -9.434 7.707 8.777 1.00 0.85 C ATOM 936 CD1 LEU A 57 -9.791 8.670 7.654 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.410 6.542 8.816 1.00 0.72 C ATOM 0 H LEU A 57 -6.099 5.630 8.752 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.605 5.351 7.709 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.640 6.863 9.591 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.366 8.046 8.327 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.507 8.242 9.724 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -10.817 9.016 7.783 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.114 9.524 7.678 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.698 8.161 6.695 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.425 6.922 8.929 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.336 5.974 7.889 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.169 5.894 9.659 1.00 0.72 H new ATOM 949 N GLU A 58 -7.035 7.650 5.915 1.00 0.39 N ATOM 950 CA GLU A 58 -6.991 8.265 4.595 1.00 0.43 C ATOM 951 C GLU A 58 -6.170 7.415 3.630 1.00 0.51 C ATOM 952 O GLU A 58 -5.647 6.366 4.006 1.00 1.09 O ATOM 953 CB GLU A 58 -6.402 9.676 4.687 1.00 0.44 C ATOM 954 CG GLU A 58 -4.963 9.702 5.175 1.00 0.44 C ATOM 955 CD GLU A 58 -4.753 10.669 6.325 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.104 10.314 7.470 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.238 11.780 6.082 1.00 1.29 O ATOM 0 H GLU A 58 -6.401 8.067 6.596 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.010 8.331 4.214 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.453 10.147 3.705 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.016 10.274 5.360 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.672 8.700 5.490 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.308 9.979 4.349 1.00 0.44 H new ATOM 964 N ASN A 59 -6.065 7.871 2.388 1.00 0.31 N ATOM 965 CA ASN A 59 -5.309 7.151 1.368 1.00 0.28 C ATOM 966 C ASN A 59 -3.827 7.527 1.392 1.00 0.28 C ATOM 967 O ASN A 59 -3.075 7.164 0.488 1.00 0.49 O ATOM 968 CB ASN A 59 -5.890 7.422 -0.019 1.00 0.32 C ATOM 969 CG ASN A 59 -6.149 8.899 -0.266 1.00 0.86 C ATOM 970 OD1 ASN A 59 -6.266 9.689 0.670 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.244 9.281 -1.534 1.00 0.91 N ATOM 0 H ASN A 59 -6.494 8.737 2.061 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.391 6.087 1.592 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.203 7.046 -0.777 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.823 6.869 -0.132 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.420 10.260 -1.760 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.141 8.595 -2.282 1.00 0.91 H new ATOM 978 N GLU A 60 -3.409 8.247 2.430 1.00 0.29 N ATOM 979 CA GLU A 60 -2.018 8.655 2.565 1.00 0.29 C ATOM 980 C GLU A 60 -1.359 7.856 3.679 1.00 0.27 C ATOM 981 O GLU A 60 -1.602 8.107 4.859 1.00 0.35 O ATOM 982 CB GLU A 60 -1.925 10.153 2.864 1.00 0.34 C ATOM 983 CG GLU A 60 -0.516 10.711 2.737 1.00 0.49 C ATOM 984 CD GLU A 60 -0.428 12.172 3.133 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.661 12.481 4.321 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.125 13.007 2.255 1.00 1.91 O ATOM 0 H GLU A 60 -4.015 8.559 3.189 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.499 8.460 1.626 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.584 10.693 2.184 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.290 10.337 3.874 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.159 10.128 3.363 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.176 10.596 1.708 1.00 0.49 H new ATOM 993 N PHE A 61 -0.540 6.882 3.305 1.00 0.24 N ATOM 994 CA PHE A 61 0.126 6.045 4.293 1.00 0.24 C ATOM 995 C PHE A 61 1.621 5.923 4.018 1.00 0.24 C ATOM 996 O PHE A 61 2.099 6.225 2.923 1.00 0.25 O ATOM 997 CB PHE A 61 -0.524 4.652 4.318 1.00 0.28 C ATOM 998 CG PHE A 61 0.277 3.608 5.050 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.181 3.490 6.428 1.00 0.41 C ATOM 1000 CD2 PHE A 61 1.118 2.744 4.366 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.906 2.534 7.107 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.847 1.784 5.045 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.772 1.682 6.384 1.00 0.48 C ATOM 0 H PHE A 61 -0.323 6.654 2.335 1.00 0.24 H new ATOM 0 HA PHE A 61 0.010 6.520 5.267 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.507 4.731 4.782 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.682 4.319 3.292 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.470 4.155 6.976 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.205 2.821 3.292 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.813 2.437 8.179 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.484 1.108 4.493 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.372 0.951 6.906 1.00 0.48 H new ATOM 1013 N THR A 62 2.341 5.461 5.032 1.00 0.25 N ATOM 1014 CA THR A 62 3.775 5.266 4.945 1.00 0.27 C ATOM 1015 C THR A 62 4.123 3.850 5.383 1.00 0.29 C ATOM 1016 O THR A 62 3.904 3.477 6.536 1.00 0.35 O ATOM 1017 CB THR A 62 4.513 6.288 5.813 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.239 7.608 5.377 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.016 6.106 5.809 1.00 0.37 C ATOM 0 H THR A 62 1.943 5.212 5.937 1.00 0.25 H new ATOM 0 HA THR A 62 4.089 5.410 3.911 1.00 0.27 H new ATOM 0 HB THR A 62 4.147 6.122 6.826 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.653 7.756 4.501 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.476 6.863 6.444 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.263 5.115 6.189 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.392 6.209 4.791 1.00 0.37 H new ATOM 1027 N VAL A 63 4.650 3.060 4.457 1.00 0.31 N ATOM 1028 CA VAL A 63 5.008 1.681 4.754 1.00 0.36 C ATOM 1029 C VAL A 63 6.297 1.595 5.558 1.00 0.38 C ATOM 1030 O VAL A 63 7.380 1.898 5.056 1.00 0.50 O ATOM 1031 CB VAL A 63 5.155 0.850 3.467 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.274 -0.629 3.800 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.982 1.100 2.530 1.00 0.58 C ATOM 0 H VAL A 63 4.838 3.350 3.497 1.00 0.31 H new ATOM 0 HA VAL A 63 4.194 1.271 5.352 1.00 0.36 H new ATOM 0 HB VAL A 63 6.067 1.161 2.958 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.377 -1.202 2.879 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.150 -0.791 4.428 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.380 -0.955 4.332 1.00 1.08 H new ATOM 0 HG21 VAL A 63 4.105 0.503 1.626 1.00 0.58 H new ATOM 0 HG22 VAL A 63 3.053 0.819 3.027 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.947 2.157 2.265 1.00 0.58 H new ATOM 1043 N SER A 64 6.166 1.175 6.809 1.00 0.49 N ATOM 1044 CA SER A 64 7.313 1.041 7.696 1.00 0.55 C ATOM 1045 C SER A 64 7.671 -0.427 7.896 1.00 0.63 C ATOM 1046 O SER A 64 6.793 -1.280 8.019 1.00 0.99 O ATOM 1047 CB SER A 64 7.019 1.697 9.047 1.00 0.63 C ATOM 1048 OG SER A 64 5.636 1.638 9.353 1.00 1.33 O ATOM 0 H SER A 64 5.274 0.921 7.233 1.00 0.49 H new ATOM 0 HA SER A 64 8.162 1.545 7.235 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.589 1.197 9.830 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.347 2.736 9.029 1.00 0.63 H new ATOM 0 HG SER A 64 5.475 2.062 10.222 1.00 1.33 H new ATOM 1054 N GLY A 65 8.968 -0.714 7.923 1.00 0.71 N ATOM 1055 CA GLY A 65 9.421 -2.081 8.105 1.00 0.78 C ATOM 1056 C GLY A 65 10.353 -2.538 6.998 1.00 0.72 C ATOM 1057 O GLY A 65 11.066 -3.531 7.150 1.00 0.90 O ATOM 0 H GLY A 65 9.713 -0.025 7.822 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.932 -2.166 9.064 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.557 -2.744 8.145 1.00 0.78 H new ATOM 1061 N LEU A 66 10.348 -1.813 5.883 1.00 0.64 N ATOM 1062 CA LEU A 66 11.195 -2.144 4.749 1.00 0.65 C ATOM 1063 C LEU A 66 12.646 -2.332 5.185 1.00 0.59 C ATOM 1064 O LEU A 66 12.968 -2.240 6.368 1.00 0.65 O ATOM 1065 CB LEU A 66 11.101 -1.038 3.692 1.00 0.74 C ATOM 1066 CG LEU A 66 9.749 -0.888 2.965 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.590 -1.514 3.739 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.465 0.583 2.691 1.00 0.89 C ATOM 0 H LEU A 66 9.763 -0.989 5.744 1.00 0.64 H new ATOM 0 HA LEU A 66 10.846 -3.084 4.321 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.337 -0.088 4.172 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.872 -1.217 2.943 1.00 0.74 H new ATOM 0 HG LEU A 66 9.830 -1.430 2.023 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.664 -1.378 3.180 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.778 -2.579 3.877 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.500 -1.032 4.713 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.508 0.679 2.177 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.427 1.128 3.634 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.256 0.996 2.065 1.00 0.89 H new ATOM 1080 N THR A 67 13.512 -2.594 4.214 1.00 0.65 N ATOM 1081 CA THR A 67 14.929 -2.796 4.481 1.00 0.69 C ATOM 1082 C THR A 67 15.776 -2.183 3.371 1.00 0.72 C ATOM 1083 O THR A 67 15.316 -2.033 2.239 1.00 1.06 O ATOM 1084 CB THR A 67 15.236 -4.291 4.604 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.592 -4.844 5.737 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.715 -4.593 4.723 1.00 0.99 C ATOM 0 H THR A 67 13.255 -2.672 3.230 1.00 0.65 H new ATOM 0 HA THR A 67 15.175 -2.303 5.421 1.00 0.69 H new ATOM 0 HB THR A 67 14.865 -4.737 3.681 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.799 -5.800 5.797 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.861 -5.670 4.807 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.234 -4.224 3.838 1.00 0.99 H new ATOM 0 HG23 THR A 67 17.116 -4.103 5.610 1.00 0.99 H new ATOM 1094 N GLU A 68 17.011 -1.828 3.701 1.00 0.66 N ATOM 1095 CA GLU A 68 17.915 -1.231 2.728 1.00 0.67 C ATOM 1096 C GLU A 68 18.405 -2.274 1.727 1.00 0.60 C ATOM 1097 O GLU A 68 18.632 -3.431 2.081 1.00 0.69 O ATOM 1098 CB GLU A 68 19.106 -0.582 3.434 1.00 0.76 C ATOM 1099 CG GLU A 68 19.494 0.769 2.856 1.00 0.96 C ATOM 1100 CD GLU A 68 20.886 0.770 2.253 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.221 -0.193 1.529 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.640 1.734 2.503 1.00 1.89 O ATOM 0 H GLU A 68 17.409 -1.943 4.633 1.00 0.66 H new ATOM 0 HA GLU A 68 17.365 -0.463 2.184 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.869 -0.461 4.491 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.963 -1.253 3.374 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.771 1.054 2.091 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.442 1.524 3.641 1.00 0.96 H new ATOM 1109 N ASP A 69 18.566 -1.853 0.475 1.00 0.52 N ATOM 1110 CA ASP A 69 19.029 -2.741 -0.587 1.00 0.49 C ATOM 1111 C ASP A 69 17.993 -3.818 -0.905 1.00 0.44 C ATOM 1112 O ASP A 69 18.297 -5.010 -0.872 1.00 0.54 O ATOM 1113 CB ASP A 69 20.359 -3.392 -0.193 1.00 0.59 C ATOM 1114 CG ASP A 69 21.554 -2.667 -0.781 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.356 -1.601 -1.400 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.688 -3.166 -0.623 1.00 1.66 O ATOM 0 H ASP A 69 18.381 -0.897 0.170 1.00 0.52 H new ATOM 0 HA ASP A 69 19.176 -2.139 -1.484 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.445 -3.407 0.893 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.366 -4.429 -0.528 1.00 0.59 H new ATOM 1121 N ALA A 70 16.769 -3.394 -1.216 1.00 0.40 N ATOM 1122 CA ALA A 70 15.702 -4.332 -1.541 1.00 0.40 C ATOM 1123 C ALA A 70 14.472 -3.615 -2.083 1.00 0.35 C ATOM 1124 O ALA A 70 13.926 -2.722 -1.433 1.00 0.36 O ATOM 1125 CB ALA A 70 15.327 -5.147 -0.317 1.00 0.49 C ATOM 0 H ALA A 70 16.495 -2.412 -1.249 1.00 0.40 H new ATOM 0 HA ALA A 70 16.074 -4.999 -2.319 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.529 -5.843 -0.574 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.197 -5.704 0.030 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.985 -4.479 0.474 1.00 0.49 H new ATOM 1131 N ALA A 71 14.032 -4.018 -3.270 1.00 0.33 N ATOM 1132 CA ALA A 71 12.857 -3.420 -3.887 1.00 0.30 C ATOM 1133 C ALA A 71 11.602 -3.822 -3.124 1.00 0.27 C ATOM 1134 O ALA A 71 11.459 -4.976 -2.719 1.00 0.36 O ATOM 1135 CB ALA A 71 12.756 -3.832 -5.348 1.00 0.34 C ATOM 0 H ALA A 71 14.471 -4.755 -3.822 1.00 0.33 H new ATOM 0 HA ALA A 71 12.953 -2.335 -3.846 1.00 0.30 H new ATOM 0 HB1 ALA A 71 11.872 -3.376 -5.794 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.645 -3.498 -5.882 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.678 -4.917 -5.415 1.00 0.34 H new ATOM 1141 N TYR A 72 10.699 -2.870 -2.908 1.00 0.24 N ATOM 1142 CA TYR A 72 9.476 -3.159 -2.162 1.00 0.24 C ATOM 1143 C TYR A 72 8.212 -2.647 -2.852 1.00 0.21 C ATOM 1144 O TYR A 72 8.041 -1.445 -3.043 1.00 0.23 O ATOM 1145 CB TYR A 72 9.572 -2.536 -0.775 1.00 0.30 C ATOM 1146 CG TYR A 72 10.355 -3.368 0.204 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.751 -4.425 0.868 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.693 -3.099 0.464 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.452 -5.197 1.767 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.405 -3.869 1.364 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.780 -4.916 2.014 1.00 0.46 C ATOM 1152 OH TYR A 72 12.487 -5.683 2.912 1.00 0.56 O ATOM 0 H TYR A 72 10.787 -1.907 -3.232 1.00 0.24 H new ATOM 0 HA TYR A 72 9.392 -4.244 -2.103 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.037 -1.554 -0.858 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.566 -2.381 -0.385 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.712 -4.647 0.676 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.182 -2.280 -0.042 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.966 -6.017 2.275 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.445 -3.653 1.558 1.00 0.42 H new ATOM 0 HH TYR A 72 13.328 -5.974 2.502 1.00 0.56 H new ATOM 1162 N GLU A 73 7.311 -3.569 -3.192 1.00 0.21 N ATOM 1163 CA GLU A 73 6.043 -3.207 -3.825 1.00 0.21 C ATOM 1164 C GLU A 73 4.936 -3.220 -2.773 1.00 0.23 C ATOM 1165 O GLU A 73 4.925 -4.085 -1.898 1.00 0.32 O ATOM 1166 CB GLU A 73 5.707 -4.174 -4.963 1.00 0.25 C ATOM 1167 CG GLU A 73 6.418 -3.851 -6.266 1.00 0.65 C ATOM 1168 CD GLU A 73 5.458 -3.492 -7.383 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.827 -4.413 -7.943 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.335 -2.292 -7.699 1.00 1.32 O ATOM 0 H GLU A 73 7.435 -4.570 -3.040 1.00 0.21 H new ATOM 0 HA GLU A 73 6.130 -2.207 -4.251 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.969 -5.187 -4.657 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.630 -4.161 -5.133 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.106 -3.022 -6.104 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.018 -4.709 -6.570 1.00 0.65 H new ATOM 1177 N PHE A 74 4.015 -2.259 -2.836 1.00 0.22 N ATOM 1178 CA PHE A 74 2.934 -2.209 -1.825 1.00 0.28 C ATOM 1179 C PHE A 74 1.518 -2.252 -2.409 1.00 0.25 C ATOM 1180 O PHE A 74 1.028 -1.265 -2.959 1.00 0.30 O ATOM 1181 CB PHE A 74 3.062 -0.965 -0.947 1.00 0.39 C ATOM 1182 CG PHE A 74 4.470 -0.515 -0.728 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.366 -1.296 -0.019 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.895 0.697 -1.230 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.664 -0.867 0.180 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.180 1.130 -1.037 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.071 0.350 -0.332 1.00 0.53 C ATOM 0 H PHE A 74 3.984 -1.525 -3.544 1.00 0.22 H new ATOM 0 HA PHE A 74 3.067 -3.116 -1.235 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.499 -0.151 -1.404 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.602 -1.167 0.020 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.048 -2.247 0.381 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.204 1.315 -1.784 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.358 -1.481 0.734 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.495 2.082 -1.437 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.085 0.689 -0.180 1.00 0.53 H new ATOM 1197 N ARG A 75 0.859 -3.403 -2.244 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.520 -3.616 -2.712 1.00 0.34 C ATOM 1199 C ARG A 75 -1.509 -2.918 -1.781 1.00 0.31 C ATOM 1200 O ARG A 75 -1.224 -2.760 -0.604 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.817 -5.118 -2.727 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.636 -5.593 -3.912 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.647 -7.114 -3.982 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.520 -7.610 -5.355 1.00 0.87 N ATOM 1205 CZ ARG A 75 -2.248 -8.601 -5.880 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -3.179 -9.230 -5.167 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -2.042 -8.968 -7.138 1.00 1.87 N ATOM 0 H ARG A 75 1.265 -4.217 -1.782 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.624 -3.202 -3.715 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.128 -5.661 -2.715 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.346 -5.379 -1.810 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.657 -5.220 -3.828 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.222 -5.184 -4.834 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.830 -7.509 -3.379 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.574 -7.489 -3.547 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.825 -7.166 -5.955 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.350 -8.959 -4.199 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.722 -9.983 -5.589 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -1.332 -8.495 -7.698 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -2.593 -9.723 -7.546 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.671 -2.507 -2.301 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.672 -1.836 -1.462 1.00 0.39 C ATOM 1223 C VAL A 76 -5.039 -2.523 -1.529 1.00 0.31 C ATOM 1224 O VAL A 76 -5.662 -2.597 -2.588 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.847 -0.347 -1.824 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.826 0.313 -0.865 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.515 0.384 -1.794 1.00 0.54 C ATOM 0 H VAL A 76 -2.939 -2.623 -3.278 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.284 -1.908 -0.446 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.244 -0.289 -2.838 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -4.942 1.364 -1.130 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.793 -0.187 -0.931 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.446 0.235 0.154 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.669 1.431 -2.053 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.086 0.317 -0.794 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.834 -0.071 -2.513 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.494 -3.013 -0.374 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.776 -3.684 -0.248 1.00 0.31 C ATOM 1239 C ILE A 77 -7.596 -2.983 0.835 1.00 0.30 C ATOM 1240 O ILE A 77 -7.047 -2.226 1.634 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.574 -5.172 0.128 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -6.041 -5.963 -1.063 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.865 -5.794 0.629 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.604 -7.365 -0.703 1.00 0.42 C ATOM 0 H ILE A 77 -4.975 -2.952 0.502 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.302 -3.639 -1.202 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.840 -5.210 0.933 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.814 -6.016 -1.830 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.197 -5.427 -1.498 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.690 -6.839 0.885 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.209 -5.257 1.513 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.624 -5.733 -0.150 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.236 -7.872 -1.595 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.809 -7.319 0.042 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.451 -7.917 -0.296 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.903 -3.232 0.875 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.738 -2.591 1.900 1.00 0.30 C ATOM 1258 C ALA A 78 -11.083 -3.284 2.059 1.00 0.34 C ATOM 1259 O ALA A 78 -11.795 -3.474 1.088 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.941 -1.123 1.560 1.00 0.39 C ATOM 0 H ALA A 78 -9.399 -3.852 0.234 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.214 -2.677 2.852 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.561 -0.655 2.325 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.974 -0.622 1.520 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -10.434 -1.039 0.591 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.442 -3.654 3.293 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.725 -4.326 3.532 1.00 0.43 C ATOM 1268 C LYS A 79 -13.865 -3.346 3.760 1.00 0.59 C ATOM 1269 O LYS A 79 -14.872 -3.681 4.377 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.670 -5.284 4.713 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.280 -5.701 5.169 1.00 1.07 C ATOM 1272 CD LYS A 79 -10.990 -5.185 6.567 1.00 1.50 C ATOM 1273 CE LYS A 79 -10.775 -6.330 7.542 1.00 1.71 C ATOM 1274 NZ LYS A 79 -10.856 -5.881 8.959 1.00 1.98 N ATOM 0 H LYS A 79 -10.875 -3.504 4.128 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.917 -4.891 2.620 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.183 -4.821 5.556 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.230 -6.182 4.453 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.199 -6.788 5.154 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.534 -5.316 4.473 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -10.104 -4.550 6.547 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -11.819 -4.565 6.908 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.523 -7.103 7.364 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -9.800 -6.782 7.360 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -10.704 -6.694 9.590 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -10.126 -5.162 9.138 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -11.795 -5.473 9.141 1.00 1.98 H new ATOM 1288 N ASN A 80 -13.705 -2.156 3.247 1.00 0.65 N ATOM 1289 CA ASN A 80 -14.715 -1.119 3.363 1.00 0.70 C ATOM 1290 C ASN A 80 -15.301 -1.023 4.772 1.00 0.87 C ATOM 1291 O ASN A 80 -14.838 -1.676 5.707 1.00 1.55 O ATOM 1292 CB ASN A 80 -15.818 -1.385 2.346 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.299 -1.299 0.928 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.272 -1.891 0.591 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -16.005 -0.559 0.088 1.00 2.05 N ATOM 0 H ASN A 80 -12.871 -1.870 2.734 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.237 -0.160 3.161 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.243 -2.374 2.519 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.623 -0.663 2.484 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.705 -0.461 -0.882 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.849 -0.086 0.411 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.326 -0.188 4.905 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.003 0.034 6.180 1.00 0.82 C ATOM 1304 C ALA A 81 -17.688 -1.229 6.702 1.00 0.88 C ATOM 1305 O ALA A 81 -17.720 -1.468 7.909 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.030 1.149 6.030 1.00 0.83 C ATOM 0 H ALA A 81 -16.712 0.355 4.132 1.00 0.76 H new ATOM 0 HA ALA A 81 -16.242 0.318 6.907 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -18.533 1.311 6.983 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -17.528 2.067 5.723 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -18.765 0.868 5.276 1.00 0.83 H new ATOM 1312 N ALA A 82 -18.255 -2.022 5.795 1.00 0.81 N ATOM 1313 CA ALA A 82 -18.958 -3.241 6.190 1.00 0.90 C ATOM 1314 C ALA A 82 -18.143 -4.508 5.936 1.00 0.88 C ATOM 1315 O ALA A 82 -18.708 -5.558 5.625 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.297 -3.325 5.468 1.00 0.94 C ATOM 0 H ALA A 82 -18.242 -1.845 4.791 1.00 0.81 H new ATOM 0 HA ALA A 82 -19.118 -3.181 7.266 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -20.815 -4.236 5.767 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -20.906 -2.459 5.728 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.129 -3.340 4.391 1.00 0.94 H new ATOM 1322 N GLY A 83 -16.823 -4.423 6.078 1.00 0.82 N ATOM 1323 CA GLY A 83 -15.988 -5.591 5.866 1.00 0.86 C ATOM 1324 C GLY A 83 -16.004 -6.090 4.434 1.00 0.78 C ATOM 1325 O GLY A 83 -15.478 -7.164 4.144 1.00 0.93 O ATOM 0 H GLY A 83 -16.321 -3.573 6.334 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -14.963 -5.352 6.148 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.322 -6.392 6.526 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.589 -5.311 3.530 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.637 -5.696 2.129 1.00 0.78 C ATOM 1331 C ALA A 84 -15.225 -5.696 1.562 1.00 0.76 C ATOM 1332 O ALA A 84 -14.654 -4.640 1.300 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.539 -4.750 1.349 1.00 0.92 C ATOM 0 H ALA A 84 -17.032 -4.417 3.742 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.054 -6.699 2.040 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.564 -5.052 0.302 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.547 -4.786 1.761 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.152 -3.734 1.424 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.653 -6.883 1.402 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.293 -6.994 0.898 1.00 0.40 C ATOM 1341 C ILE A 85 -13.135 -6.398 -0.492 1.00 0.38 C ATOM 1342 O ILE A 85 -13.633 -6.931 -1.485 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.771 -8.450 0.911 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.240 -8.449 0.834 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.368 -9.266 -0.230 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.568 -8.738 2.161 1.00 0.79 C ATOM 0 H ILE A 85 -15.105 -7.773 1.612 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.684 -6.410 1.588 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.083 -8.920 1.844 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.920 -9.193 0.104 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.903 -7.479 0.469 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.980 -10.284 -0.191 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.453 -9.287 -0.133 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -13.098 -8.811 -1.183 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.486 -8.721 2.032 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.858 -7.980 2.889 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.876 -9.721 2.518 1.00 0.79 H new ATOM 1358 N SER A 86 -12.417 -5.288 -0.538 1.00 0.39 N ATOM 1359 CA SER A 86 -12.140 -4.591 -1.780 1.00 0.45 C ATOM 1360 C SER A 86 -10.876 -5.176 -2.396 1.00 0.44 C ATOM 1361 O SER A 86 -9.780 -4.996 -1.841 1.00 0.43 O ATOM 1362 CB SER A 86 -11.957 -3.092 -1.532 1.00 0.54 C ATOM 1363 OG SER A 86 -10.686 -2.817 -0.967 1.00 0.59 O ATOM 0 H SER A 86 -12.010 -4.846 0.286 1.00 0.39 H new ATOM 0 HA SER A 86 -12.982 -4.719 -2.461 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.065 -2.549 -2.471 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.740 -2.733 -0.864 1.00 0.54 H new ATOM 0 HG SER A 86 -10.008 -3.377 -1.400 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.018 -5.892 -3.535 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.905 -6.530 -4.234 1.00 0.61 C ATOM 1371 C PRO A 87 -8.606 -5.736 -4.166 1.00 0.54 C ATOM 1372 O PRO A 87 -8.609 -4.534 -3.899 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.413 -6.605 -5.669 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.891 -6.777 -5.542 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.296 -6.147 -4.229 1.00 0.59 C ATOM 0 HA PRO A 87 -9.648 -7.492 -3.791 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.166 -5.700 -6.224 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.962 -7.440 -6.205 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.408 -6.300 -6.375 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.160 -7.833 -5.563 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.854 -5.224 -4.386 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.937 -6.812 -3.650 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.467 -6.411 -4.412 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.148 -5.778 -4.379 1.00 0.56 C ATOM 1385 C PRO A 88 -5.993 -4.686 -5.423 1.00 0.48 C ATOM 1386 O PRO A 88 -6.604 -4.737 -6.492 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.174 -6.922 -4.679 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.945 -8.175 -4.445 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.379 -7.845 -4.739 1.00 0.72 C ATOM 0 HA PRO A 88 -5.975 -5.291 -3.420 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.812 -6.870 -5.706 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.299 -6.873 -4.030 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.590 -8.977 -5.092 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.827 -8.518 -3.417 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.631 -8.037 -5.782 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -8.062 -8.439 -4.132 1.00 0.72 H new ATOM 1397 N SER A 89 -5.162 -3.704 -5.105 1.00 0.43 N ATOM 1398 CA SER A 89 -4.903 -2.596 -6.010 1.00 0.42 C ATOM 1399 C SER A 89 -3.418 -2.536 -6.340 1.00 0.35 C ATOM 1400 O SER A 89 -2.611 -2.183 -5.478 1.00 0.51 O ATOM 1401 CB SER A 89 -5.358 -1.275 -5.386 1.00 0.56 C ATOM 1402 OG SER A 89 -6.694 -1.359 -4.916 1.00 1.28 O ATOM 0 H SER A 89 -4.654 -3.653 -4.222 1.00 0.43 H new ATOM 0 HA SER A 89 -5.468 -2.755 -6.929 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.696 -1.013 -4.561 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.279 -0.476 -6.123 1.00 0.56 H new ATOM 0 HG SER A 89 -6.713 -1.857 -4.072 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.086 -2.895 -7.597 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.702 -2.916 -8.125 1.00 0.37 C ATOM 1410 C GLU A 90 -0.669 -2.346 -7.144 1.00 0.34 C ATOM 1411 O GLU A 90 -0.653 -1.148 -6.886 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.642 -2.131 -9.438 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.150 -2.954 -10.617 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.651 -2.425 -11.948 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.227 -1.317 -11.965 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.468 -3.119 -12.970 1.00 1.77 O ATOM 0 H GLU A 90 -3.781 -3.183 -8.286 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.444 -3.963 -8.286 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.635 -1.743 -9.665 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.986 -1.270 -9.307 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.060 -2.962 -10.620 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -1.476 -3.987 -10.495 1.00 0.90 H new ATOM 1423 N PRO A 91 0.199 -3.201 -6.578 1.00 0.30 N ATOM 1424 CA PRO A 91 1.219 -2.768 -5.618 1.00 0.29 C ATOM 1425 C PRO A 91 2.048 -1.584 -6.096 1.00 0.31 C ATOM 1426 O PRO A 91 2.500 -1.556 -7.240 1.00 0.55 O ATOM 1427 CB PRO A 91 2.110 -4.001 -5.460 1.00 0.36 C ATOM 1428 CG PRO A 91 1.232 -5.155 -5.793 1.00 0.36 C ATOM 1429 CD PRO A 91 0.249 -4.655 -6.817 1.00 0.39 C ATOM 0 HA PRO A 91 0.758 -2.422 -4.693 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.971 -3.954 -6.127 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.498 -4.080 -4.444 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.816 -5.987 -6.188 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.716 -5.521 -4.905 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.578 -4.882 -7.831 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.731 -5.115 -6.689 1.00 0.39 H new ATOM 1437 N SER A 92 2.268 -0.609 -5.203 1.00 0.27 N ATOM 1438 CA SER A 92 3.071 0.558 -5.548 1.00 0.31 C ATOM 1439 C SER A 92 4.402 0.087 -6.084 1.00 0.27 C ATOM 1440 O SER A 92 4.865 -0.996 -5.711 1.00 0.24 O ATOM 1441 CB SER A 92 3.313 1.472 -4.340 1.00 0.39 C ATOM 1442 OG SER A 92 2.571 1.068 -3.210 1.00 1.23 O ATOM 0 H SER A 92 1.904 -0.610 -4.250 1.00 0.27 H new ATOM 0 HA SER A 92 2.526 1.135 -6.295 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.375 1.473 -4.094 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.045 2.496 -4.602 1.00 0.39 H new ATOM 0 HG SER A 92 2.303 1.858 -2.695 1.00 1.23 H new ATOM 1448 N ASP A 93 5.014 0.896 -6.948 1.00 0.33 N ATOM 1449 CA ASP A 93 6.302 0.554 -7.539 1.00 0.36 C ATOM 1450 C ASP A 93 7.228 -0.051 -6.493 1.00 0.32 C ATOM 1451 O ASP A 93 7.086 0.201 -5.296 1.00 0.56 O ATOM 1452 CB ASP A 93 6.922 1.794 -8.224 1.00 0.45 C ATOM 1453 CG ASP A 93 5.993 2.554 -9.165 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.002 3.137 -8.678 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.259 2.560 -10.385 1.00 1.55 O ATOM 0 H ASP A 93 4.636 1.793 -7.253 1.00 0.33 H new ATOM 0 HA ASP A 93 6.153 -0.203 -8.309 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.269 2.480 -7.451 1.00 0.45 H new ATOM 0 HB3 ASP A 93 7.800 1.477 -8.786 1.00 0.45 H new ATOM 1460 N ALA A 94 8.165 -0.846 -6.955 1.00 0.33 N ATOM 1461 CA ALA A 94 9.105 -1.482 -6.057 1.00 0.28 C ATOM 1462 C ALA A 94 10.271 -0.548 -5.777 1.00 0.29 C ATOM 1463 O ALA A 94 11.048 -0.219 -6.673 1.00 0.41 O ATOM 1464 CB ALA A 94 9.598 -2.801 -6.633 1.00 0.34 C ATOM 0 H ALA A 94 8.298 -1.068 -7.942 1.00 0.33 H new ATOM 0 HA ALA A 94 8.596 -1.698 -5.118 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.303 -3.260 -5.940 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.751 -3.470 -6.786 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.093 -2.619 -7.587 1.00 0.34 H new ATOM 1470 N ILE A 95 10.381 -0.118 -4.532 1.00 0.25 N ATOM 1471 CA ILE A 95 11.443 0.785 -4.131 1.00 0.28 C ATOM 1472 C ILE A 95 12.643 0.017 -3.602 1.00 0.26 C ATOM 1473 O ILE A 95 12.567 -0.627 -2.554 1.00 0.25 O ATOM 1474 CB ILE A 95 10.953 1.773 -3.062 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.610 2.379 -3.482 1.00 0.41 C ATOM 1476 CG2 ILE A 95 11.991 2.860 -2.835 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.418 1.729 -2.813 1.00 0.44 C ATOM 0 H ILE A 95 9.745 -0.382 -3.780 1.00 0.25 H new ATOM 0 HA ILE A 95 11.745 1.344 -5.017 1.00 0.28 H new ATOM 0 HB ILE A 95 10.810 1.238 -2.123 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.612 3.444 -3.248 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.503 2.290 -4.563 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.631 3.554 -2.075 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.925 2.408 -2.501 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.163 3.399 -3.766 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.501 2.208 -3.157 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.391 0.669 -3.067 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.502 1.841 -1.732 1.00 0.44 H new ATOM 1489 N THR A 96 13.749 0.084 -4.337 1.00 0.29 N ATOM 1490 CA THR A 96 14.972 -0.607 -3.948 1.00 0.32 C ATOM 1491 C THR A 96 15.337 -0.283 -2.507 1.00 0.32 C ATOM 1492 O THR A 96 15.986 -1.077 -1.828 1.00 0.38 O ATOM 1493 CB THR A 96 16.122 -0.217 -4.878 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.798 -0.510 -6.225 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.421 -0.921 -4.554 1.00 0.43 C ATOM 0 H THR A 96 13.822 0.611 -5.207 1.00 0.29 H new ATOM 0 HA THR A 96 14.798 -1.680 -4.030 1.00 0.32 H new ATOM 0 HB THR A 96 16.263 0.854 -4.729 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.545 -0.252 -6.805 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.194 -0.598 -5.252 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.725 -0.674 -3.537 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.282 -1.999 -4.640 1.00 0.43 H new ATOM 1503 N CYS A 97 14.916 0.888 -2.043 1.00 0.32 N ATOM 1504 CA CYS A 97 15.202 1.306 -0.678 1.00 0.36 C ATOM 1505 C CYS A 97 16.698 1.216 -0.393 1.00 0.43 C ATOM 1506 O CYS A 97 17.175 0.216 0.138 1.00 0.64 O ATOM 1507 CB CYS A 97 14.425 0.427 0.304 1.00 0.38 C ATOM 1508 SG CYS A 97 12.629 0.519 0.115 1.00 1.10 S ATOM 0 H CYS A 97 14.378 1.561 -2.589 1.00 0.32 H new ATOM 0 HA CYS A 97 14.891 2.343 -0.555 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.740 -0.608 0.176 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.688 0.717 1.321 1.00 0.38 H new ATOM 0 HG CYS A 97 12.283 -0.026 -1.013 1.00 1.10 H new ATOM 1514 N ARG A 98 17.436 2.263 -0.753 1.00 0.53 N ATOM 1515 CA ARG A 98 18.881 2.286 -0.537 1.00 0.63 C ATOM 1516 C ARG A 98 19.318 3.554 0.207 1.00 0.80 C ATOM 1517 O ARG A 98 19.237 3.617 1.434 1.00 1.04 O ATOM 1518 CB ARG A 98 19.620 2.149 -1.877 1.00 0.68 C ATOM 1519 CG ARG A 98 18.899 2.811 -3.043 1.00 0.74 C ATOM 1520 CD ARG A 98 19.859 3.592 -3.926 1.00 0.92 C ATOM 1521 NE ARG A 98 20.992 2.779 -4.362 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.167 3.282 -4.731 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.366 4.593 -4.719 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.145 2.472 -5.112 1.00 2.68 N ATOM 0 H ARG A 98 17.060 3.103 -1.193 1.00 0.53 H new ATOM 0 HA ARG A 98 19.144 1.436 0.093 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.614 2.586 -1.780 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.757 1.091 -2.100 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.394 2.050 -3.638 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.128 3.481 -2.662 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.325 3.966 -4.799 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.226 4.461 -3.381 1.00 0.92 H new ATOM 0 HE ARG A 98 20.875 1.766 -4.385 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.617 5.220 -4.426 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.268 4.974 -5.003 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.997 1.463 -5.122 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.046 2.858 -5.395 1.00 2.68 H new ATOM 1538 N ASP A 99 19.780 4.560 -0.532 1.00 0.92 N ATOM 1539 CA ASP A 99 20.228 5.811 0.067 1.00 1.20 C ATOM 1540 C ASP A 99 19.103 6.848 0.117 1.00 1.03 C ATOM 1541 O ASP A 99 19.308 7.968 0.583 1.00 1.20 O ATOM 1542 CB ASP A 99 21.419 6.369 -0.715 1.00 1.61 C ATOM 1543 CG ASP A 99 21.048 7.584 -1.543 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.878 7.675 -1.973 1.00 2.14 O ATOM 1545 OD2 ASP A 99 21.926 8.444 -1.763 1.00 2.08 O ATOM 0 H ASP A 99 19.853 4.531 -1.549 1.00 0.92 H new ATOM 0 HA ASP A 99 20.532 5.599 1.092 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.214 6.636 -0.019 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.816 5.593 -1.370 1.00 1.61 H new ATOM 1550 N ASP A 100 17.915 6.469 -0.363 1.00 0.85 N ATOM 1551 CA ASP A 100 16.758 7.361 -0.368 1.00 0.92 C ATOM 1552 C ASP A 100 17.073 8.704 -1.025 1.00 1.22 C ATOM 1553 O ASP A 100 16.385 9.697 -0.786 1.00 1.38 O ATOM 1554 CB ASP A 100 16.233 7.574 1.058 1.00 0.87 C ATOM 1555 CG ASP A 100 17.071 8.544 1.871 1.00 1.32 C ATOM 1556 OD1 ASP A 100 16.895 9.768 1.697 1.00 2.03 O ATOM 1557 OD2 ASP A 100 17.903 8.079 2.678 1.00 2.06 O ATOM 0 H ASP A 100 17.732 5.545 -0.754 1.00 0.85 H new ATOM 0 HA ASP A 100 15.982 6.879 -0.963 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.209 7.944 1.009 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.201 6.614 1.573 1.00 0.87 H new ATOM 1562 N VAL A 101 18.108 8.732 -1.857 1.00 1.43 N ATOM 1563 CA VAL A 101 18.497 9.946 -2.546 1.00 1.90 C ATOM 1564 C VAL A 101 18.420 9.764 -4.058 1.00 2.23 C ATOM 1565 O VAL A 101 18.478 10.738 -4.810 1.00 2.80 O ATOM 1566 CB VAL A 101 19.923 10.382 -2.165 1.00 2.20 C ATOM 1567 CG1 VAL A 101 19.889 11.308 -0.959 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.821 9.181 -1.904 1.00 2.22 C ATOM 0 H VAL A 101 18.691 7.922 -2.068 1.00 1.43 H new ATOM 0 HA VAL A 101 17.797 10.722 -2.237 1.00 1.90 H new ATOM 0 HB VAL A 101 20.345 10.928 -3.009 1.00 2.20 H new ATOM 0 HG11 VAL A 101 20.905 11.608 -0.702 1.00 2.67 H new ATOM 0 HG12 VAL A 101 19.299 12.193 -1.196 1.00 2.67 H new ATOM 0 HG13 VAL A 101 19.439 10.788 -0.113 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.820 9.525 -1.638 1.00 2.22 H new ATOM 0 HG22 VAL A 101 20.410 8.591 -1.085 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.876 8.566 -2.802 1.00 2.22 H new ATOM 1578 N GLU A 102 18.289 8.514 -4.506 1.00 1.99 N ATOM 1579 CA GLU A 102 18.205 8.229 -5.926 1.00 2.40 C ATOM 1580 C GLU A 102 17.640 6.833 -6.177 1.00 2.00 C ATOM 1581 O GLU A 102 17.943 6.203 -7.192 1.00 2.49 O ATOM 1582 CB GLU A 102 19.585 8.378 -6.568 1.00 3.22 C ATOM 1583 CG GLU A 102 20.514 7.195 -6.333 1.00 3.87 C ATOM 1584 CD GLU A 102 21.970 7.610 -6.247 1.00 4.18 C ATOM 1585 OE1 GLU A 102 22.235 8.827 -6.150 1.00 4.47 O ATOM 1586 OE2 GLU A 102 22.844 6.719 -6.276 1.00 4.58 O ATOM 0 H GLU A 102 18.240 7.692 -3.904 1.00 1.99 H new ATOM 0 HA GLU A 102 17.523 8.946 -6.382 1.00 2.40 H new ATOM 0 HB2 GLU A 102 19.460 8.520 -7.642 1.00 3.22 H new ATOM 0 HB3 GLU A 102 20.058 9.280 -6.180 1.00 3.22 H new ATOM 0 HG2 GLU A 102 20.228 6.690 -5.410 1.00 3.87 H new ATOM 0 HG3 GLU A 102 20.392 6.475 -7.142 1.00 3.87 H new ATOM 1593 N ALA A 103 16.820 6.358 -5.247 1.00 1.84 N ATOM 1594 CA ALA A 103 16.209 5.040 -5.363 1.00 2.56 C ATOM 1595 C ALA A 103 15.314 4.957 -6.594 1.00 3.21 C ATOM 1596 O ALA A 103 14.248 5.608 -6.594 1.00 3.72 O ATOM 1597 CB ALA A 103 15.415 4.719 -4.106 1.00 3.26 C ATOM 1598 OXT ALA A 103 15.688 4.245 -7.550 1.00 3.79 O ATOM 0 H ALA A 103 16.562 6.868 -4.402 1.00 1.84 H new ATOM 0 HA ALA A 103 17.004 4.303 -5.476 1.00 2.56 H new ATOM 0 HB1 ALA A 103 14.963 3.732 -4.203 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.080 4.730 -3.243 1.00 3.26 H new ATOM 0 HB3 ALA A 103 14.632 5.465 -3.970 1.00 3.26 H new TER 1604 ALA A 103